text
stringlengths 356
4.19k
|
|---|
[INST] Generate new ligand in SMILES that have affinity to this target GYSL(F)PNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDS(Y)PFDGPGN(T)(L)(A)(H)(A)(F)APGTGLGGDAHFDEDERWTDGSSLGINFLY(A)AT(H)(Q)LG(H)SLGMG(H)SSDPNAVMY(P)TYNFKLSQDDIKGIQKLYGKR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)CN1C[C@H](C2CCC(C[C@H](NC(=O)CN[C@H](O)CC[C@H](NS(O)(O)C3CCC(Cl)C(C(F)(F)F)C3)C(O)O)[C@H](O)N[C@H]([C@@H](O)N3CCC[C@H]3CC(N)O)C(C)(C)C)CC2)CN1 |
[INST] Generate new ligand in SMILES that have affinity to this target GRRAACGAVLLTELLE(R)AAF(Y)GITSNLVLFLNGAPFCWEGAQASEALLLFMGLT(Y)LGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARCCSPATFAGLVLVGLGVATV(K)ANITPFGADQVKDRGPEATRRF(F)NWF(Y)WS(I)NLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCKMSHGGPFTEEKVEDVKALVKIVPVFLALIPYWTV(Y)FQMQTTYVLQSLHLRIPEISNPHTLPAAWLTMFDAVL(I)LLL(I)PLKDKLVDPILRRHGLLPSSLKRIAVGMFFVMCSAFAAGILESKRLNLVKEKTINQTIGNVVYHAADLSLWWQVPQYLLIGIS(E)IFA(S)(I)AG(L)EFAYSAAPKSM(Q)SAIMGLFFFFSGVGSFVGSGLLALVSIKAIGWMSSGNINGCYLNYYFFLLAAIQGATLLLFLIISVKYD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target MVGQLSEGAIAAIMQKGDTNIKPILQVINI(R)P(I)TPP(R)Y(R)LLMSDGLNTLS(S)F(M)LATQLNPLVEEEQLSSNCVCQIHRFIV(N)T(L)KDG(R)R(V)VILMELEVLKSAEAVGVKIGNPVPYN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MVGQLSEGAIAAIMQKGDTNIKPILQVI(N)I(R)P(I)TPPRY(R)L(L)MSDGLNTL(S)(S)(F)(M)LATQLNPLVEEEQLSSNCVCQIHRFIVNTLKDG(R)RVVILMELEVLKSAEAVGVKIGNPVPYN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target FSLNF(D)RAFLPAL(Y)SLLFLLGLLGNGAVAAVLLSRRTALSSTDTFLLHLAVADTLLVLTLPL(W)AVDAAVQWVFGSGLCKVAGAL(F)NINFYAGALLLACISFDRYLNIVHATQLYRRGPPARVTLTCLAVWGLCLLFALPDFIFLSAHHDERLNATHC(Q)YNFPQVGRTALRVLQLVAGFLLPLLVMAYCYAHILAVLLVSRGQRRLRAMRLVVVVVVAFALCWTP(Y)HLVVLVDILMDLGALARN(C)GR(E)SRVDVAKSVTSGLG(Y)MHCCLNPLLYAFVGVKFRERMWMLLLRL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(=N)N)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target PWRSPWAISVFAFVTSLLGIGLLLAVIHSSVTRQIDPKGCRM(S)(Y)(M)R(P)SYAKLSDFDTEHTRLASKYSLYLYREQGIDHDVKVRGVPVLFIPGNAGSYKQV(R)PIAAEAANYFHDVLQHDEAALRAGVRSLDFFTVDFNEDITAFHGQTLLDQAEYLNEAIRYILSLYLDPRVSERDPDLPDPTSVIVLGHSMGGIVARTMLIMPNYQHNSINTIITMSAPHARPPVSFDGQIVQTYKDINNYWRHAYSQKWANDNPLWHVTLVSIAGGGLDTVVPSDYASIESLVPDTHGFTVFTSTIPNVWTSMDNQAILWCDQFRKVIIRALFDIVDVHRASQTKPRAQRMRVFKKWFLSGMETVAEKIAPTSDPTTLLIVDDKSDSITAEGERLVLRELGTQGSVRAHLMPIPPPGSPELKRFTLLTDTKLDKPGENGKLEVMFCSVIPSQPNPTGPAIPSQLDLSKGNAGTTRLACTNVAPDVITLPASTRFARFPFSVRKEAEIPPFSYLEYVLDDISEHQFVAVIEKATIPTPGFVIAEFSDHSNSHHTRHIGLRNLLTFGISLRLPSNRPMMSEVRIPSVKSSLLAYNLRISALECSGRKDLFAPLVRQYLAEPYESKYFVNARQAAVSLHGVAPYVPPPMSREPEAEGLAFQLWTDPTCNSSIQVDLTVDVMGSLGKLYMRYRTVFAAFPLFIVSLVLRKQFQVYDSTGSFITFAEGLDLSLRQSIPVMLIVLAALTLSTNFHQNDLLIGTQDPFFLFLIPLIGIICVGVCTVVNYIALSLTRLISVVISFIGFLTVRFGTAVLLFLVSTMIPYQLAYLVACLVQLGTLVRAQRISSELRSPANSNFHNYVHSIFILMLWILPINLPTLVVWMHNLSVHWLTPFTSHHNVFSIMPFILLVETHTTGQMIPRTCCVLLRHITSILLLSLALYAAVYGVSYAYTLHQFVNLFAFWLVMVHSTA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H](O)[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCO[PH]([O-])(O)OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target PWRSPWAISVFAFVTSLLGIGLLLAVIHSSVTRQIDPKGCR(M)(S)(Y)(M)R(P)SYAKLSDFDTEHTRLASKYSLYLYREQGIDHDVKVRGVPVLFIPGNAGSYKQV(R)PIAAEAANYFHDVLQHDEAALRAGVRSLDFFTVDFNEDITAFHGQTLLDQAEYLNEAIRYILSLYLDPRVSERDPDLPDPTSVIVLGHAMGGIVARTMLIMPNYQHNSINTIITMSAPHARPPVSFDGQIVQTYKDINNYWRHAYSQKWANDNPLWHVTLVSIAGGGLDTVVPSDYASIESLVPDTHGFTVFTSTIPNVWTSMDHQAILWCDQFRKVIIRALFDIVDVHRASQTKPRAQRMRVFKKWFLSGMETVAEKIAPTSDPTTLLIVDDKSDSITAEGERLVLRELGTQGSVRAHLMPIPPPGSPELKRFTLLTDTKLDKPGENGKLEVMFCSVIPSQPNPTGPAIPSQLDLSKGNAGTTRLACTNVAPDVITLPASTRFARFPFSVRKEAEIPPFSYLEYVLDDISEHQFVAVIEKATIPTPGFVIAEFSDHSNSHHTRHIGLRNLLTFGISLRLPSNRPMMSEVRIPSVKSSLLAYNLRISALECSGRKDLFAPLVRQYLAEPYESKYFVNARQAAVSLHGVAPYVPPPMSREPEAEGLAFQLWTDPTCNSSIQVDLTVDVMGSLGKLYMRYRTVFAAFPLFIVSLVLRKQFQVYDSTGSFITFAEGLDLSLRQSIPVMLIVLAALTLSTNFHQNDLLIGTQDPFFLFLIPLIGIICVGVCTVVNYIALSLTRLISVVISFIGFLTVRFGTAVLLFLVSTMIPYQLAYLVACLVQLGTLVRAQRISSELRSPANSNFHNYVHSIFILMLWILPINLPTLVVWMHNLSVHWLTPFTSHHNVFSIMPFILLVETHTTGQMIPRTCCVLLRHITSILLLSLALYAAVYGVSYAYTLHQFVNLFAFWLVMVHSTADDW known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H](O)[C@H](NC(=O)C[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCCO[PH]([O-])(O)OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target KKRPKRLSSQNVNYDLKRRKIITSEGIERSFKNEENEDFCSACNQSGSFLCCDTCPKSFHFLCLDPPIDPNNLPKGDWHCNECKFKIFKKIESNFIKQNNNVKIFAKLLFNIDSHNPKQFQLPNYIKETFPAVKTGSRGQYSDENDTKLDSYNPDTHIDSNSGKFLICYKCNQTRLGSWSHPENSRLIMTCDYCQTPWHLDCVPRASFKNLGSKWKCPLHSPTKVYKNYKVWKKQRLINKKNQLYYEPL(Q)KIGYQNNGNIQII(P)DF(K)ITQIDENSIK(Y)DFFDKI(Y)KSKMV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)CC(N)=O,CC(C)C[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CN.CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C=O)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTAAALYRDALESPE(H)CS(P)HHTALRQAILCWGDLMTLATWVGTNLEDPASRDLVVSYVNTNVGLKFRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAARPPNAPILS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTAAALYRDALESPE(H)CS(P)HHTALRQAILCWGDLMTLATWVGTNLEDPASRDLVVSYVNTNVGLKFRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAARPPNAPILSTLPETTVVENLYFQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVML(F)R(K)SP(Q)ELLCGASLISDRWVLTAAHCLL(Y)PP(W)DKNFTENDL(L)VRIGKHS(R)(T)R(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)(V)(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTR(I)RITDNMFCAGYKPDEGKRG(D)(A)C(E)GDSGGPFVM(K)S(P)FN(N)(R)(W)YQMGIV(S)(W)(G)(E)(G)CDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](C[C@H]1CC[C@H](OS(O)(O)O)CC1)[C@H](O)N[C@H](C=O)CC(C)C,CC(C)C[C@H](NC(O)[C@H](CCCCN(C)C)N[C@H](O)[C@@H](N[C@H](O)[C@H](CC1CCC(C(N)N)CC1)N[C@@H](C)O)C1CCCCC1)C(=O)N1CCC[C@H]1C(N)=O,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1ccc(O)cc1)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAG(H)CGTVNATARIGGAVVGTFAARVFPGNDRAWVSLTSAQTLLPRVANGSSFVTVRGSTEAAVGAAVCRSGRTTGYQCGTITAKNVTAN(Y)AEGAVRGLTQGNAC(M)(G)(R)(G)D(S)GGSWITSAGQAQGVA(S)(G)(G)N(V)QSNGNNCGIPASQRSSLFERLQPILSQYGLSLVTG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CCCCC1)B(O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MTDMNILDLFLKASLLVKLIMLILIGFSIASWAIIIQRTRILNAAAREAEAFEDKFWSGIELSRLYQESQGKRDNLTGSEQIFYSGFKEFVRLHRANSHAPEAVVEGASRAMRISMNRELENLETHIPFLGTVGSISPYIG(L)FGT(V)WGIMHA(F)IALGAVKQAT(L)QMVAPGIAEALIATAIGLFAAIPAVMAYNRLNQRVNKLELNYDNFMEEFTAILHRQAFTVSESNKG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MTDMNILDLFLKASLLVKLIMLILIGFSIASWAIIIQRTRILNAAAREAEAFEDKFWSGIELSRLYQESQGKRDNLTGSEQIFYSGFKEFVRLHRANSHAPEAVVEGASRAMRISMNRELENLETHIPFLGTVGSISP(Y)IG(L)FG(T)VWG(I)MHA(F)IA(L)GAVKQ(A)(T)(L)(Q)M(V)(A)PG(I)AEA(L)IA(T)AIGLFAAIPAVMAYNRLNQRVNKLELNYDNFMEEFTAILHRQAFTVSESNKG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MTDMNILDLFLKASLLVKLIMLILIGFSIASWAIIIQRTRILNAAAREAEAFEDKFWSGIELSRLYQESQGKRDNLTGSEQIFYSGFKEFVRLHRANSHAPEAVVEGASRAMRISMNRELENLETHIPFLGTVGSISP(Y)IG(L)FGTVWGIMHA(F)IA(L)GAVKQ(A)(T)[L]QM(V)APG(I)AEA(L)IATAIGLFAAIPA(V)MAYNRLNQRVNKLELNYDNFMEEFTAILHRQAFTVSESNKG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O,CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target MTDMNILDLFLKASLLVKLIMLILIGFSIASWAIIIQRTRILNAAAREAEAFEDKFWSGIELSRLYQESQGKRDNLTGSEQIFYSGFKEFVRLHRANSHAPEAVVEGASRAMRISMNRELENLETHIPFLGTVGSISP(Y)IG(L)FGTVWG(I)MHA(F)IALGAVKQAT(L)QM(V)(A)PGIAEALIATAIGLFAAIPAVMAYNRLNQRVNKLELNYDNFMEEFTAILHRQAFTVSESNKG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target MTDMNILDLFLKASLLVKLIMLILIGFSIASWAIIIQRTRILNAAAREAEAFEDKFWSGIELSRLYQESQGKRDNLTGSEQIFYSGFKEFVRLHRANSHAPEAVVEGASRAMRISMNRELENLETHIPFLGTVGSISPYIGLFGTVWGIMHAFIALGAVKQAT(L)QMVAPG(I)AEALIATAIGLFAAIPAVMAYNRLNQRVNKLELNYDNFMEEFTAILHRQAFTVSESNKG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target DSYLVLIRITPDEDG(K)(F)(G)(F)(N)(L)KGGVD(Q)(K)(M)PLVV(S)RINPESPADTCIPKLNEGDQIVLINGRDISEHT(H)(D)QVVMFIKASRESHSRELALVIRRR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target SYLVLIRITPDEDG(K)(F)(G)(F)(N)(L)(K)GGVD(Q)KMPLVV(S)RINPESPADTCIPKLNEGDQIVLINGRDISEHT(H)(D)QVVMFIKASRESHSRELALVIRRR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target PISAEEQMIRAFVKSVEYMSPRKIGALVAIQRVRTLQEYISTGIPLDAKISAELLINIFIP(N)(T)(P)LHDGAVIIKEERIAVTSAYLPLTKNTGISKEFGTRHRAAIGLSEVSDALTFVVSEETGGISITYNGRFKHNLTLDEFETELREILL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVQKDSYVGDEAQSKRGILTLKYPI(E)HG(I)V(T)NWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLN(P)KANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAIL(R)LDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYDESGPSIVHR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H]1NC(O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(O)N[C@@H](C)C(=O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVQKDSYVGDEAQSKRGILTLKYPIEHG(I)VTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLN(P)KANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTER(G)(Y)(S)FTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYDESGPSIVHR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H]1NC(O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(O)N[C@@H](C)C(=O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVQKDSYVGDEAQSKRGILTLKYPI(E)HG(I)VTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLN(P)KANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAIL(R)LDLAGRDLTDYLMKILTER(G)(Y)(S)FTTTA(E)REIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYDESGPSIVHR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H]1NC(O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(O)N[C@@H](C)C(=O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVQKDSYVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKIL(T)ER(G)(Y)(S)FTTTAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDG(Q)VITIGNERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEY known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H]1NC(O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)SC[C@H](NC(O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@H](O)C[C@H]1C(O)N[C@@H](C)C(=O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target (L)(F)(C)EQVTTVTNLFEKWNDCERT(V)VMYALLKRLRYPSLKFLQYSIDSNLTQNLGTSQTNLSSVVIDINANNPVYLQNLLNAYKTARKEDILHEVLNMLPLLKPGNEEAKLIYLTLIPVAVKDTMQQIVPT(E)LV(Q)QIF(S)YL(L)IHPAITSEDRRSLNIW(L)RHLE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO,CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO.OCCO |
[INST] Generate new ligand in SMILES that have affinity to this target L(F)(C)EQVTTVTNLFEKWNDCERT(V)VMYALLKRLRYPSLKFLQYSIDSNLTQNLGTSQTNLSSVVIDINANNPVYLQNLLNAYKTARKEDILHEVLNMLPLLKPGNEEAKLIYLTLIPVAVKDTMQQIVPTELV(Q)QIF(S)YL(L)IHPAITSEDRRSLNIW(L)RHLE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO,CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO.OCCO |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(L)(P)S(D)R(N)(Q)Q(I)(S)(L)(V)(A)(D)R(A)TYNEKTGL(T)T(Y)T(G)(N)VVIEQGTMKLQADSIVATLNSK(R)EIQTITAKGRPSKFQQQISADKGIARGEGQTIVYNADTGIITLSGGAYLYQDGSSIRGNTLKYSMNKGDVEAQGSSSNR known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(O)[C@@H]1C[C@@H](O)CN1[C@H](O)[C@@H](NC(N)[NH3+])C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@@H](O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC[NH3+])C(O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC[NH3+])C(O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC[NH3+])[C@H](O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CSSC1(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target ASGGVFVQSGGSLRLSCAASGATSTFDGMGWFRQAPGKEKE(F)VSAISYEQGSYT(Y)YADSVKGRFTISRDNSKNMVYLQMNSLRAEDTATYYCAPAY(E)(G)(D)(L)(Y)(A)(F)DEQGTQVTVSS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target ASGGVFVQSGGSLRLSCAASGATSTFDGMGWFRQAPGKE(R)E(F)VSAISYEQGSYT(Y)YADSVKGRFTISRDNSKNMVYLQMNSLRAEDTATYYCAPAYE(G)(D)(L)(Y)(A)FDQGTQVTVSS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDL(Q)LERINVYYNEATGGKYVPRAVLVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKEAESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPG(Q)LNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRG(R)MSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPP(R)GLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CCCCN)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MNEVKESLRSVEQKYKIFQQQQFTFIGALEHCRENAHDKIRPISSIGQVQSYMEHHCSNSTDRRILLMFLDICSELSKLCQHFEALHPVTNNLLEKCKTLVSQSNDLSSLRAK(Y)PHDVVN(H)LSCDEARNHYGGVVSLIPIILDLMKEWVAHSE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CCCCN)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target LNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDNWDAVFRFLQKYIQKETECQASRQKKMQEISSLVKYFIKCANRRAPRLKCQELLNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQDVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFLKTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEKGAYESTKWRSILYNLYDLLVNEISHIGSRRNIAVKENLIELMADICHQVFNIELGWEVIKDHLQKSQNDFDLVPWLQIATQLISKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDLLKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVCCLTLALTTSIVPGTFSLKESIMKWLLFYQLTEVPPILHSNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECSFSEVEELFLQTTFDKMDFLTGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSRLLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMMQLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFISTIGAINPLAEEYLSKQDLLFLDMLKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYPLPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLTVIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLADNHHQVRMLAAESINRLFQDTKLKALPLKLQQTAFENAYLKAQEGMREMETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSETFGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLVIRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYDMLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPDLDPAPNPPHFPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILKIYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEAMWGKALVTYDLETAIPSSTRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCGTSYHESLYNALQSLRDREFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKTQRKGINIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGG(V)NLPKIIDCVGSDGKERRQLVKGRDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVFMDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDR(H)VQNILINEQSAELVHIDLGVAFEQGKI(L)(P)(T)PETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRL(F)P(G)WKAWV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target LNDLLICCRQLEHDRATERKKEVEKFKRLIRDPETIKHLDNWDAVFRFLQKYIQKETECQASRQKKMQEISSLVKYFIKCANRRAPRLKCQELLNYIMDTVKDSSNGAIYGADCSNILLKDILSVRKYWCEISQQQWLELFSVYFRLYLKPSQDVHRVLVARIIHAVTKGCCSQTDGLNSKFLDFFSKAIQCARQEKSSSGLNHILAALTIFLKTLAVNFRIRVCELGDEILPTLLYIWTQHRLNDSLKEVIIELFQLQIYIHHPKGAKTQEKGAYESTKWRSILYNLYDLLVNEISHIGSRRNIAVKENLIELMADICHQVFNIELGWEVIKDHLQKSQNDFDLVPWLQIATQLISKYPASLPNCELSPLLMILSQLLPQQRHGERTPYVLRCLTEVALCQDKRSNLESSQKSDLLKLWNKIWCITFRGISSEQIQAENFGLLGAIIQGSLVEVDREFWKLFTGSACRPSCPAVCCLTLALTTSIVPGTFSLKESIMKWLLFYQLTEVPPILHSNFPHLVLEKILVSLTMKNCKAAMNFFQSVPECSFSEVEELFLQTTFDKMDFLTGFSVHQNLKESLDRCLLGLSEQLLNNYSSEITNSETLVRCSRLLVGVLGCYCYMGVIAEEEAYKSELFQKAKSLMQCAGESITLFKNKTNEEFRIGSLRNMMQLCTRCLSNCTKKSPNKIASGFFLRLLTSKLMNDIADICKSLASFISTIGAINPLAEEYLSKQDLLFLDMLKFLCLCVTTAQTNTVSFRAADIRRKLLMLIDSSTLEPTKSLHLHMYLMLLKELPGEEYPLPMEDVLELLKPLSNVCSLYRRDQDVCKTILNHVLHVVKNLGQSNMDSENTRDAQGQFLTVIGAFWHLTKERKYIFSVRMALVNCLKTLLEADPYSKWAILNVMGKDFPVNEVFTQFLADNHHQVRMLAAESINRLFQDTKLKALPLKLQQTAFENAYLKAQEGMREMETLDEIYNRKSVLLTLIAVVLSCSPICEKQALFALCKSVKENGLEPHLVKKVLEKVSETFGYRRLEDFMASHLDYLVLEWLNLQDTEYNLSSFPFILLNYTNIEDFYRSCYKVLIPHLVIRSHFDEVKSIANQIQEDWKSLLTDCFPKILVNILPYFAYEGTRDSGMAQQRETATKVYDMLKSENLLGKQIDHLFISNLPEIVVELLMTLHEPDLDPAPNPPHFPSHVIKATFAYISNCHKTKLKSILEILSKSPDSYQKILLAICEQAAETNNVYKKHRILKIYHLFVSLLLKDIKSGLGGAWAFVLRDVIYTLIHYINQRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEAMWGKALVTYDLETAIPSSTRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCGTSYHESLYNALQSLRDREFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKTQRKGINIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGGVNLPKIIDCVGSDGKERRQLVKGRDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVFMDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDR(H)VQNILINEQSAELVHIDLGVAFEQGKI(L)(P)(T)PETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRL(F)P(G)WKAWV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target AFVLRDVIYTLIHYINQRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEAMWGKALVTYDLETAIPSSTRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCGTSYHESLYNALQSLRDREFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKTQRKGINIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGG(V)NLPKIIDCVGSDGKERRQLVKGRDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVFMDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDR(H)VQNILINEQSAELVHIDLGVAFEQGKI(L)P(T)PETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRL(F)P(G)WKAWV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target AFVLRDVIYTLIHYINQRSFSLCCDLLSQVCQTAVTYCKDALENHLHVIVGTLIPLVYEQVEVQKQVLDLLKYLVIDNKDNENLYITIKLLDPFPDHVVFKDLRITQQKIKYSRGPFSLLEEINHFLSVSVYDALPLTRLEGLKDLRRQLELHKDQMVDIMRASQDNPQDGIMVKLVVNLLQLSKMAINHTGEKEVLEAVGSCLGEVGPIDFSTIAIQHSKDASYTKALKLFEDKELQWTFIMLTYLNNTLVEDCVKVRSAAVTCLKNILATKTGHSFWEIYKMTTDPMLAYLQPFRPFEGLDDINLWIPLSENHDIWIKTLTCAFLDSGGTKCEILQLLKPMCEVKTDFCQTVLPYLIHDILLQDTNESWRNLLSTHVQGFFTSCLRHCCLDKKSQRTMLAVVDYMRRQKRPSSGTIFNDAFWLDLNYLEVAKVAQSCAAHFTALLYAEIYADKKSMDDQEKRSTTISSLSEKSKEETGISLQDLLLEIYRSIGEPDSLYGCGGGKMLQPITRLRTYEHEAMWGKALVTYDLETAIPSSTRQAGIIQALQNLGLCHILSVYLKGLDYENKDWCPELEELHYQAAWRNMQWDHCGTSYHESLYNALQSLRDREFSTFYESLKYARVKEVEEMCKRSLESVYSLYPTLSRLQAIGELESIGELFSRSVTHRQLSEVYIKWQKHSQLLKDSDFSFQEPIMALRTVILEILMEKEMDNSQRECIKDILTKHLVELSILARTFKNTQLPERAIFQIKQYNSVSCGVSEWQLEEAQVFWAKKEQSLALSILKQMIKKLDASCAANNPSLKLTYTECLRVCGNWLAETCLENPAVIMQTYLEKAVEVAGNYDGESSDELRNGKMKAFLSLARFSDTQYQRIENYMKSSEFENKQALLKRAKEEVGLLREHKIQTNRYTVKVQRELELDELALRALKEDRKRFLCKAVENYINCLLSGEEHDMWVFRLCSLWLENSGVSEVNGMMKRDGMKIPTYKFLPLMYQLAARMGTKMMGGLGFHEVLNNLISRISMDHPHHTLFIILALANANRDEFLTSSQLDEDRTEAANRIICTIRSRRPQMVRSVEALCDAYIILANLDATQWKTQRKGINIPADQPITKLKNLEDVVVPTMEIKVDHTGEYGNLVTIQSFKAEFRLAGGVNLPKIIDCVGSDGKERRQLVKGRDDLRQDAVMQQVFQMCNTLLQRNTETRKRKLTICTYKVVPLSQRSGVLEWCTGTVPIGEFLVNNEDGAHKRYRPNDFSAFQCQKKMMEVQKKSFEEKYEVFMDVCQNFQPVFRYFCMEKFLDPAIWFEKRLAYTRSVATSSIVGYILGLGDR(H)VQNILINEQSAELVHIDLGVAFEQGKI(L)P(T)PETVPFRLTRDIVDGMGITGVEGVFRRCCEKTMEVMRNSQETLLTIVEVLLYDPLFDWTMNPFNKVAERVLMRLQEKLKGVEEGTVLSVGGQVNLLIQQAIDPKNLSRL(F)P(G)WKAWV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target LSPDA(Y)RFLTEQ(D)(R)QL(R)LEQAQIQRLLEAQSL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target LSPD(A)YR(F)LTE(Q)DRQLRLEQAQIQRLL(E)A(Q)(S)L known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)C,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target LSPDA(Y)RF(L)TEQDRQ(L)(R)LE(Q)AQ(I)QRL(L)EA(Q) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target LSPDA(Y)RFLTEQ(D)RQ(L)RL(E)(Q)AQ(I)QRL(L)EAQSL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MSRKKNPSVIQFEKAITEKNYEAACTELLDILNKIDTNFGDIEGIDFDYPQQLETLMQDRIVYFCTRMSNAITQLFCDPQFSLSESGANRFFVVQRWLNLIFASSPYINADHILQTYNCNPERDSIYDIYLEPNKNVLMKFAVLYLPESNVNLNLDTMWETDKNICGSLCFALQSP(R)FIGTPAAFSKRSTILQWFPAKLEQFHVLDDLPSNIS(H)(D)VY(M)HCSYDTAENKHNVKKALNQVIRSHLLKCGWQDRQITQIGMRNGKPVMVVVLEHF(H)SS(H)(S)IYRTHSTSMIAAREQFYLIGLGNNAVDQAGRDVFDEFHEFDGSNILKKLAFLKEMCEKNDAAVLYMPSIG(M)DLATIFVSNARFAPIQVIAL(G)HPATTHSEFIEYVIVEDDYVGSESCFSETLLRLPKDALPYVPSSLAPTDVQYVLRETPEVVNIGIAATT(M)KLNPYFLETLKTIRDRAKVKVHFHFALG(Q)SIGITHPYVARFIRSYLGDDATAHPHSPYNRYLDILHNCDMMLNPFPFGNTNGIIDMVTLGLVGVCKTGPEVHEHIDEGLFKRLGLPEWLIADSVEDYIERAIRLAENHQERLALRRHIIENNGLKTLFSGDPSPMGKTLFAKLTEWRQTN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSRKKNPSVIQFEKAITEKNYEAACTELLDILNKIDTNFGDIEGIDFDYPQQLETLMQDRIVYFCTRMSNAITQLFCDPQFSLSESGANRFFVVQRWLNLIFASSPYINADHILQTYNCNPERDSIYDIYLEPNKNVLMKFAVLYLPESNVNLNLDTMWETDKNICGSLCFALQSP(R)FIGTPAAFSKRSTILQWFPAKLEQFHVLDDLPSNIS(H)(D)VY(M)HCSYDTAENKHNVKKALNQVIRSHLLKCGWQDRQITQIGMRNGKPVMVVVLEHFHSSHSIYRTHSTSMIAAREQFYLIGLGNNAVDQAGRDVFDEFHEFDGSNILKKLAFLKEMCEKNDAAVLYMPSIGMDLATIFVSNARFAPIQVIALGHPATTHSEFIEYVIVEDDYVGSESCFSETLLRLPKDALPYVPSSLAPTDVQYVLRETPEVVNIGIAATT(M)KLNPYFLETLKTIRDRAKVKVHFHFALG(Q)SIGITHPYVARFIRSYLGDDATAHPHSPYNRYLDILHNCDMMLNPFPFGNTNGIIDMVTLGLVGVCKTGPEVHEHIDEGLFKRLGLPEWLIADSVEDYIERAIRLAENHQERLALRRHIIENNGLKTLFSGDPSPMGKTLFAKLTEWRQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target QDWP(R)(R)(V)(K)TNKGREFMFPTDLLHRTPPQVLLDALVNEYESPLSATELSDDWPEMTFEERKNVA(F)NL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(CO)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)N |
[INST] Generate new ligand in SMILES that have affinity to this target WPR(R)(V)(K)T(N)KGREFMFPTDLLHRTPPQVLLDALVNEYESPLSATELSDDWPEMTFEERKNVAFNL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target ALEARLEQASILKKVVDAIKDLVQDCNFDCNDSGIALQA(M)DNS(H)(V)A(L)VSMMLKAEGFSPYRCDRNIALGVNLTSLTKVLRAAQNEDILTLKAEDAPDVLNLVFESSETDRISEYDLKLMDIDQE(H)(L)(G)I(P)ETEYAATITMPSNEFKRITTDLMAMSESVTIEANGVKFSCQGDIGNGSVTLRQHTNVEKPNESIEIELSEPVSLTFSLKYLVNFCKASALSNTVKICLSN(E)V(P)LLVEYSLGGSSYLRF(Y)L(A)(P)(K)(I) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target EKPVYLSVKADNSMFIGNDPVTDETMITALNALTEGKKDTTI(F)FRADKTVDYETLMKVMDTLHQAGYLK(I)(G)(L)VG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target KPVYLSVKADNSMFIGNDPVTDETMITALNALTEGKKDTTIFFRADKTVDYETL(M)KVM(D)TLHQAGYLK(I)(G)(L)VG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTCQLPIDRGGGEGKAMYIDTEGTFRPERLLAVAERYGLSGSDVLDNVAYARAFNTDHQTQLLYQASAMMVESRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFTTATEFHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERY(G)(L)SGS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPM(G)(F)(T)(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTCQLPIDRGGGEGKAMYIDTEGTFRPERLLAVAERYGLSGSDVLDNVAYARAFNTDHQTQLLYQASAMMVESRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMG(F)T(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYGL(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLY(Q)ASA(M)MVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMVESRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMV(E)SRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMV(E)SRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFT(T)AT(E)FHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYG(L)(S)GS(D)VLD(N)VAYARAFNTDHQTQLLYQASAMMVE(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFTTATEFHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTC(Q)LPIDRGGG(E)(G)(K)AMYIDTEGTFRPERLLAVAERYGL(S)GS(D)VLD(N)VAYARAFNTDHQTQLLY(Q)ASA(M)MV(E)(S)RYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target YPPSMDWRKKGNFVSPVKNQGSCGSCWTFSTTGALESAVAIATGKMLSLAEQQLVDCAQNFNNHGCQG(G)(L)P(S)QAFEYIRYNKGIMGEDTYPYKGQDDHCKFQPDKAIAFVKDVANITMNDEEAMVEAVALYNPVSF(A)FEVTNDFLMYRKGIYSSTSCHKT(P)(D)K(V)(N)HAVLAVGYGEENGIPYWIVKNSWGPQWGMNGYFLIERGKNMCGLAA(C)(A)SYPIPLV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSLQGIHLSDLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCG(E)ILYAKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKESNKIN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target MSLQGIHLSDLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEILYAKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)(K)(N)(N)KGEDLQMLDIHGVEKSWVEEIDKEA(R)KT(M)ATLLKESSIPQNQRPSAPDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKESNKIN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target DLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target MSLQGIHLSDLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)(K)NNKGEDLQMLDIHGVEKSWVEEID(K)EA(R)KT(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKESNKIN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target MSLQGIHLSDLSYKHAILKESQYTIKRDVGTTTAVTPSSLQQEITLLCGEIL(Y)AKHADYKYAAEIGIQYISTALGSERVQQILRNSGSEVQVVLTRTYSLGK(I)KNNKGEDLQMLDIHGVEKSWVEEIDKEA(R)(K)T(M)ATLLKESSGNIPQNQ(R)P(S)APDTPIILLCVGALIFTKLASTIEVGLETTVRRANRVLSDALKRYPRMDIPKIARSFYDLFEQKVYHRSLFIEYGKALGSSSTGSKAESLFVNIFMQAYGAGQTMLRWGVIARSSNNIMLGHVSVQAELKQVTEVYDLVREMGPESGLLHLRQSPKAGLLSLANCPNFASVVLGNASGLGIIGMYRGRVPNTELFSAAESYAKSLKESNKIN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@H](C=O)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target SGGVFVQSGGSLRLSCAASGATSTFDGMGWFRQAPGKE(K)E(F)VSAISYEQGSYT(Y)YADSVKGRFTISRDNSKNMVYLQMNSLRAEDTATYYCAPAY(E)G(D)(L)(Y)(A)(F)QGTQVTVSS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MNLERLRKRVRQYLDQQQYQSALFWADKVASLSREEPQDIYWLAQCLYLTAQYHRAAHALRSRKLDKLYEACRYLAARCHYAAKEHQQALDVLDSIKSSICLLRGKIYDALDNRTLATYSYKEALKLDVYCFEAFDLLTSHHMLTAQEEKELLESLPLSKLCNEEQELLRFLFENKLKKYNKPSETVIPESVDGLQENLDVVVSLA(E)RH(Y)(Y)NCDFKMCYKLTSVVMEKDPFHASCL(P)VHIGTL(V)(E)LNKANELFYLSHKLVDLYPSNPVSWFAVGCYYLMVGHKNEHARRYLSKATTLEKTYGPAWI(A)YG(H)SF(A)VESEHDQAMAA(Y)FTAAQLMKGCH(L)PML(Y)IG(L)(E)YGLTNNSKLAERFFSQALSIAPE(D)PFVM(H)(E)VGVVA(F)QNGEWKTAEKWFLDALEKIKAIGNEVTVDK(W)(E)(P)LL(N)(N)LG(H)VC(R)(K)LKKYAEALDYHRQALVLIPQ(N)A(S)TYSAIG(Y)IH(S)(L)MGN(F)ENAVDYFHTALGLRRDDT(F)SVT(M)LGHCI(E)MYIGCYDFDVHTMKTLKNII known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C=O)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target NLERLRKRVRQYLDQQQYQSALFWADKVASLSREEPQDIYWLAQCLYLTAQYHRAAHALRSRKLDKLYEACRYLAARCHYAAKEHQQALDVLDMSQSSIKSSICLLRGKIYDALDNRTLATYSYKEALKLDVYCFEAFDLLTSH(H)MLTAQEEKELLESLPLSKLCNEEQELLRFLFENKLKKYNKPSETVIPESVDGLQENLDVVVSLAERH(Y)YNCDFKMCYKLTSVVMEKDPFHASCLPVHIGTL(V)(E)LNKANELFYLSHKLVDLYPSNPVSWFAVGCYYLMVGHKNEHARRYLSKATTLEKTYGPAWIAYG(H)SF(A)VESEHDQAMAAYFTAAQLMKGCHLPML(Y)IGLEYGLTNNSKLAERFFSQALSIAPEDP(F)VM(H)(E)VGVVA(F)QNGEWKTAEKWFLDALEKIKAIGNEVTVD(K)W(E)(P)LL(N)(N)LG(H)VC(R)(K)LKKYAEALDYHRQALVLIPQNA(S)TYSAIG(Y)IHS(L)MGNFENAVDYFHTALGLRRDDT(F)SVTMLGHCIE(M)YIGDSEAY known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target RLIYTAGG(Y)FRQSLSYLEAYNPSDGTWLRLADLQVPR(S)GLAGCVVGGLLYAVGG(R)N(N)SPDGNTDSSALDCYNPMTNQWSPCAPMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITAMNTIR(S)(G)AGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVATATWTFVAPMKHRR(S)ALGITVHQGRIYVLGG(Y)DGHT(F)LDSVECYDPDTDTWSEVTRMTSGR(S)GVGVAVTMEPS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC2CCCCC2CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target RLIYTAGG(Y)FRQSLSYLEAYNPSDGTWLRLADLQVPR(S)GLAGCVVGGLLYAVGG(R)N(N)SPDGNTDSSALDCYNPMTNQWSPCAPMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITAMNTIR(S)(G)AGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVATATWTFVAPMKHRR(S)ALGITVHQGRIYVLGG(Y)DGHT(F)LDSVECYDPDTDTWSEVTRMTSGR(S)GVGVAVTMEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC2CCCCC2CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target RLIYTAGG(Y)FRQSLSYLEAYNPSDGTWLRLADLQVPR(S)GLAGCVVGGLLYAVGG(R)N(N)SPDGNTDSSALDCYNPMTNQWSPCAPMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITAMNTIR(S)GAGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVATATWTFVAPMKHRR(S)ALGITVHQGRIYVLGG(Y)DGHT(F)LDSVECYDPDTDTWSEVTRMTSGR(S)GVGVAVTMEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSCC2CCCCC2CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target RLIYTAGG(Y)FRQSLSYLEAYNPSDGTWLRLADLQVPR(S)GLAGCVVGGLLYAVGG(R)N(N)SPDGNTDSSALDCYNPMTNQWSPCAPMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITAMNTIR(S)GAGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVATATWTFVAPMKHRR(S)ALGITVHQGRIYVLGG(Y)DGHT(F)LDSVECYDPDTDTWSEVTRMTSGR(S)GVGVAVTMEPS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H]1CSCC2CCCCC2CSC[C@@H](C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target MLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVRRLSMLPHLADLVSYSIQKV(I)GFA(K)MIPGF(R)DLTAED(Q)IALL(K)SSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTPLVL(E)VFGS(E) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target MLSDEQMQIINSLVEAHHKTYDDSYSDFVRFRPPVRRLSMLPHLADLVSYSIQKVIGFA(K)MIPGF(R)DLTAEDQ(I)ALL(K)SSAIEIIMLRSNQSFSLEDMSWSCGGPDFKYCINDVTKAGHTLELLEPLVKFQVGLKKLKLHEEEHVLLMAICLLSPDRPGVQDHVRIEALQDRLCDVLQAYIRIQHPGGRLLYAKMIQKLADLRSLNEEHSKQYRSLSFQPEHSMQLTP(L)VL(E)(V)FGS(E) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target ATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSP(N)GK(Y)ILAATLDNTLKLWDYSKGKCL(K)TYTGHKNEKYCIFANFS(V)TGGKWIVSGSEDNLVYIWNL(Q)TKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDCGTLEVLFQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(O)N[C@H](C(=O)N[C@H](C=O)CCC(=O)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target SKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFN(R)DGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSP(N)GK(Y)ILAATLDNTLKLWDYSKGKCL(K)TYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNL(Q)TKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDCGTLEVLFQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H]1CC(=O)NCC[C@@H](C(O)N[C@H](C(=O)N[C@H](C=O)CCC(=O)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target GRLIYTAGG(Y)FRQSLSYLEAYNPSNGSWLRLADLQVPR(S)GLAGCVVGGLLYAVGGRN(N)SPDGNTDSSALDCYNPMTNQWSPCASMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITPMNTIR(S)GAGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVETETWTFVAPMRHHR(S)ALGITVHQGKIYVLGG(Y)DGHT(F)LDSVECYDPDSDTWSEVTRMTSGR(S)GVGVAVTMEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CCOC(O)CN(C)C1NC2CCSC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)O)CSCCC(C2)N1 |
[INST] Generate new ligand in SMILES that have affinity to this target GRLIYTAGG(Y)FRQSLSYLEAYNPSNGSWLRLADLQVPR(S)GLAGCVVGGLLYAVGGRN(N)SPDGNTDSSALDCYNPMTNQWSPCASMSVPRN(R)IGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTN(R)LNSAECYYPERNEWRMITPMNTIR(S)GAGVCVLHNCIYAAGG(Y)DGQDQLNSVERYDVETETWTFVAPMRHHR(S)(A)LGITVHQGKIYVLGG(Y)DGHT(F)LDSVECYDPDSDTWSEVTRMTSGR(S)GVGVAVTMEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CCOC(O)CN(C)C1NC2CCSC[C@H](NC(C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)CSCC[C@H](C2)N1 |
[INST] Generate new ligand in SMILES that have affinity to this target EIAPT(F)SADD(V)AKIKKFCKAHSKDIFEHLSKSLAPSIHGHEYIKKAILCMLLGGNEKVLENGTRIRGDINVLLIGDPSVAKSQLLRYVLHTAPRAIPTTGRGSSGVGLTAAVTTDQETGERRLEAGAMVLADRGVVCIDEFDKMSDMDRTAIHEVMEQGRVTIAKAGIQARLNARCSVLAAANPVYGRYDQYRTPMENIGLQDSLLSRFDLLFIVLDKMDADNDQEIADHVLRMHRYRTPGEQDGYALPLGCELQIYEKHDNLLHGPRKNKSKIVSMQFIRKYIHVAK(L)IKPVLTSEAADYISQEYAKIRNHDQINNDSARTMPVTARALETMIRLSTAHAKVRMSKTIERQDAETALELVQFAYFKKVL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target AMALEARLEQASILKKVVDAIKDLVQDCNFDCNDSGIALQA(M)DNS(H)(V)ALVSMMLKAEGFSPYRCDRNIALGVNLTSLTKVLRAAQNEDILTLKAEDAPDVLNLVFESSETDRISEYDLKLMDIDQE(H)(L)(G)IPETEYAATITMPSNEFKRITTDLMAMSESVTIEANKDGVKFSCQGDIGNGSVTLRQHTNVEKPNESIEIELSEPVSLTFSLKYLVNFCKASALSNTVKICLSN(E)V(P)LLVEYSLGGSSYLRFYL(A)(P)(K)(I) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C=O)[C@@H](C)CC)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target YTAAKYITETYASKPNWQAASSIASRLIKGEKAKAELRSNNWPFRVVGIAHLEKQEESDSIEWFQSALRVDPNDVESWVGLGQAYHACGRIEASIKVFDKAIQLRPSHTFAQYFKAISLCDVGEYLESLDILEKVCQEAATEESFQIGLVEVLMRCSLDLYSQGFLLKSVSIAKDTIERIKIIISELKCENQQVWIYLSQVLRLFIWIESKVDTLPVESL(V)SIFENSEEIDSVDNIKIDTL(L)DSTTDD(N)VSIACKFLILASKYSGTVRASYWYNIGISELTAFITLKEPQYRDAAIFAFKKSIQLQSNTSETWIGLGIATMDINFRVSQHCFIKATALEPKATNTWFNLAMLGLKKKDTEFAQQVLNKLQSLAPQDSSPWLGMALILEEQGDIIGSSKLFAHSFILSNGRSKAAQFMYAKNVLENHINNGDDERDIETVEKLTTASIALEQFFKKSPDSQFALQCALLTLERLHHYENANELANRLIGILEKK(F)EKTQDERELFN(F)AIIKGQFARIHLGLGNFELSIENADLSQ(G)IISESSDEKSMKTKISNHICLGLSYFFLNDFDQTLNQFQELLSISKDSKHLVVLIAKVLYDVGESDTKEIALQELTEYIATSGADLLVTLTIAAMSILDDKREDLSIILEELKALPLSKQIIDKHKDAPYLIEEITKRLYRNDTGKQVWQRSAYFFPNNLKVWERLDKNIQRRIASNGQNKVTAEEMSKLYCESKNLRSIQRGMFLCPWNVTAVKALNECF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C=O.CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCSC |
[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPTCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEGIDL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |