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[INST] Generate new ligand in SMILES that have affinity to this target ATEFTPSVYSLVSKPLPSNSRPSATLDEQAETEDLISQLFDLTADPNALVSEHGKRYSGLRKQEHTQFLASSFFQLPGKFVSLD(A)(S)RP(W)LVF(W)TVHSLDLLGVALDQGTKDRVVSTLLHFLSPKGGFGGGPANSQIP(H)L(L)(P)TYASVCSLAIAGNDSSTGGWKDLAAARQSIYEFFMRCKRPDGGFVVCEGGEVDV(R)GTYCLLVVATLLDIITPELLHNVDKFVSACQTYEGGFACASFPFPSEPSCRVSMAEAHGGYTSCSLNSHFLLTSVPLPSFPLSIDANAALRWTVLQQGEPIEGGGFRGRTNKLVDGCYSWWVGGGAPVAEELVRREKSRKVIPPIFNRVALQEFTLVAAQQDPGSTGGLRDKPGKRP(D)(Q)(Y)HTCNNLSGLSIAQHKMSHSPSTVSSNRLKFDASKGLPAVKPVAPGGGWKNEDERQNARREIWANALGWIEEEGGEIIVGGKDNRINTTTPVFNILGLRLKPFINYFYCQE 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](NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GRLPACVVDCGTGYTKLGYAGNTEPQFIIPSCIAIKEKGVDDLDFFIGDEAIEKPTYATKWPIRHGIVEDWDLMERFMEQVIFKYLRAEPEDHYFLLTEPPLNTPENREYTAEIMFESFNVPGLYIAVQAVLALAASWTSRQVGERTLTGTVIDSGDGVTHVIPVAEGYVIGSCIKHIPIAGRDITYFIQQLLRDREVGIPPEQSLETAKAVKE(R)(Y)S(Y)VC(P)DLVKEFNKYDTDGS(K)(W)I(K)QYTGINAISKKEFSIDVGYERFLGPEIFFHPEFANPDFTQPISEVVDEVIQNCPIDVRRPLYKNIVLSGGSTMF(R)(D)FG(R)(R)LQRDLKRTVDARLKLSEELSGGRLKPKPIDVQVITHHMQRYAVWFGGSMLASTPEFYQVCHTKKDYEEIGPSICRHNPVFGVMS 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](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VMEKPSPLLVGRE(F)VR(Q)YYTLLNQAPDMLH(R)(F)YGKNSSYVHGGLDSNGKPADAVYGQKEIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAPEGVA(N)(K)(F)(Y)VHNDIFRYQDEVFG 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](C)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target PSPLLVGRE(F)VR(Q)YYTLLNQAPDMLH(R)(F)YGKNSSYVHGGLDSNGKPADAVYGQKEIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAPESVA(N)(K)(F)(Y)VHNDIFRYQDEVFG 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](C)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target SMVMEKPSPL(L)VGRE(F)VR(Q)YYTLLNQAPDMLH(R)(F)(Y)GKNSSYVHGPADAVYGQKEIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAP(E)GSVA(N)(K)(F)(Y)VHNDIFRYQDEVFG 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]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target SMVMEKPSPL(L)(V)GRE(F)VRQYYTLLNQAPDMLH(R)(F)(Y)GKNSSYVHGGLDNGKPADAVYGQ(K)EIHRKVMSQNFTNCHTKIRHVDAHATLNDGVVVQVMGLLSNNNQALRRFMQTFVLAP(E)GSVA(N)(K)(F)(Y)VHNDIFRYQDEV 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]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target PDFLGHAENPLREEEWARLNETVIQVA(R)RS(L)VGR(R)I(L)(D)IYGPLGAGVQTVPYDEFQGVSPGAVDIVGEQETAMVFTDARKFKTIPIIYKDFLLHWRDIEAARTHNMPLDVSAAAGAAALCAQQEDELIFYGDARLGYEGLMTANGRLTVPLGDWTSPGGGFQAIVEATRKLNEQGHFGPYAVVLSPRLYSQLHRIYEKTGVLEIETIRQLAS(D)GVYQSNRLRGESGVVVSTGRENMDLAVSM(D)MVAAYLGASRMNHPFRVLEALLLRIKHPDAICTL 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](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N |
[INST] Generate new ligand in SMILES that have affinity to this target PDFLGHAENPLREEEWARLNETVIQVA(R)RSLVG(R)(R)(I)(L)DIYG(P)(L)GAGVQTVPYDEFQGVSPGAVDIVGEQETAMVFTDARKFKTIPIIYKDFLLHWRDIEAARTHNMPLDVSAAAGAAALCAQQEDELIFYGDARLGYEGLMTANGRLTVPLGDWTSPGGGFQAIVEATRKLNEQGHFGPYAVVLSPRLYSQLHRIYEKTGVLEIETIRQLASDGVYQSNRLRGESGVVVSTGRENMDLAVSM(D)MVAAYLGASRMNHPFRVLEALLLRIKHPDAICTL 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](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N |
[INST] Generate new ligand in SMILES that have affinity to this target PDFLGHAENPLREEEWARLNETVIQVA(R)RSLVG(R)(R)I(L)(D)IYGP(L)GAGVQTVPYDEFQGVSPGAVDIVGEQETAMVFTDARKFKTIPIIYKDFLLHWRDIEAARTHNMPLDVSAAAGAAALCAQQEDELIFYGDARLGYEGLMTANGRLTVPLGDWTSPGGGFQAIVEATRKLNEQGHFGPYAVVLSPRLYSQLHRIYEKTGVLEIETIRQLASDGVYQSNRLRGESGVVVSTGRENMDLAVSM(D)MVAAYLGASRMNHPFRVLEALLLRIKHPDAICTL 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](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N |
[INST] Generate new ligand in SMILES that have affinity to this target SLYPIAVLIDELRNEDVQLRLNSIKKLSTIALALGVERTRSELLPFLTDTIYDEDEVLLALAEQLGTFTTLVGGPEYVHCLLPPLESLATVEETVVRDKAVESLRAISHEHSPSDLEAHFVPLVKRLAGGDWFTSRTSACGLFSVCYPRVSSAVKAELRQYFRNLCSDDTPMVRRAAASKLGEFAKVLELDNVKSEIIPMFSNLASDEQDSVRLLAVEACVNIAQLLPQEDLEALVMPTLRQAAEDKS(W)(R)VRY(M)VADKFTELQKAVGPEITKTDLVPAFQNLMKDCEAEVRAAASHKVKEFCENLSADCRENVIMSQILPCIKELVSDANQ(H)VKSALASVIMGLSPILGKDNTIEHLLPLFLAQLKDECPEVRLNIISNLDCVNEVI 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]COC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c[nH+]1)C(C)C)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target NDIQWCFSQVKGAAEADIISTVEFNHSGELLATGDKGGRVVIFQQEQEHSRGEYNVYSTFQSHEPEFDYLKSLEIEEKINKIRWLPQKNAAQFLLSTNDKTIKLWKISERDKRPEGYNLKEEDGRYRDPTTVTTLRVPVFRPMDLMVEASPRRIFAN(A)HTYHINSISINSDYETYLSAD(D)LRIN(L)W(H)LE(I)T(D)(R)(S)(F)(N)(I)VDI(K)PAN(M)EEL(T)EVITAAEFHPNSCNTFVYSSSKGTIRLCDMRASA(L)C(D)RHSKLFEEPSNRSFFSEIISSISDVKFSHSGRYMMTRDYLSVKIWDLNMENRPVETYQVHEYLRSKLCSL(Y)EN(D)CI(F)DKFECCWNGSDSVVMTGSYNNFFRMFDRNTKRDITLEASRENNKPRTVLKPRKVCARKKDEISVDSLDFNKKILHTAWHPKENIIAVATTNNLYIFQDKV 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](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CCC(=O)O,COC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c[nH+]1)C(C)C)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target DEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVD(R)GYYSVETVTLLVALKVRYRERITILRGNHESRQITQV(Y)GFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLL(W)SDPDDRGGWGIS(P)(R)GAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCY(R)CGNQAAIMELDDTLKYSFLQFDPAPRRGEP 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(=O)O)NC(=O)[C@H](CCSC)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])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)N[C@@H](C)C(=O)N[C@H](C=O)CCSC)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target NQ(F)VQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAF(N)TVV(N)FT(Y)AVH(N)EWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTET(M)PS(R)VVC(M)IEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWQVSAKRKVVKMMIVVVCTFAICWLPFHIF(F)LLPYINPDLYLKKFI(Q)QV(Y)LAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAF 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](C=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] |
[INST] Generate new ligand in SMILES that have affinity to this target GTVNWSVEDIVKGINSNNLESQLQATQAARKL(L)(S)(R)EKQ(P)PIDNIIRAGLIPKFVSFLGKTDCSPIQ(F)ESA(W)ALT(N)I(A)(S)(G)TSEQ(T)KAVVDGGAIPAFISLLASPHAHISE(Q)AV(W)ALG(N)IAG(D)GSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLRNLT(W)TLSNLC(R)NKNPAPPLDAVEQILPTLVRLLHHNDPEVLADSCWAISYLTDGPNERIEMVVKKGVVPQLVKLLGATELPIVTPALRAIGNI(V)TGTDEQ(T)QKVIDAGALAVFPSLLTNPKTNIQKEAT(W)TMS(N)ITAGRQDQIQQVVNHGLVPFLVGVLSKADFKTQK(E)AA(W)AITNYTSGGTVEQIVYLVHCGIIEPLMNLLSAKDTKIIQVILDAISNIFQAAEKLGETEKLSIMIEECGGLDKIEALRHENESVYKASLNLIEKYF 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](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C=O,N=C(N)NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCC[NH3+] |
[INST] Generate new ligand in SMILES that have affinity to this target GSLNLDSIIGRLLEVQGSRPGKNVQLTENEIRGLCLKSREIFLSQPILLELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIV(D)E(K)(I)FCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLLWS(D)PDKDVQGWGE(N)D(R)GVSFTFGAEVVAKFLHKHDL(D)LICRAH(Q)(V)(V)(E)(D)G(Y)(E)(F)F(A)(K)(R)QLVTLFSAPNYCGEFDNAGAMMSVD(E)T(L)(M)(C)(S)(F)QILKPAD 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](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CS |
[INST] Generate new ligand in SMILES that have affinity to this target MDATALERD(A)(V)QF(A)RLAVQR(D)(H)EGRYSEAVFY(Y)KEAAQALIYAEMAGSSLENIQE(K)IT(E)(Y)LE(R)VQALHSAVPLKSKHQLD(L)(E)RAHFLVTQA(F)DEDEKENVEDAIEL(Y)TEAVDLCLKTSYETADKVLQNKLKQLAR(Q)(A)LDRAEALSEPL 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](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)C(C)C.CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target MDATALERD(A)(V)QF(A)(R)LA(V)QR(D)HEGRYSEAVFY(Y)KEAAQALIYAEMAGSSLENIQE(K)IT(E)(Y)LE(R)VQALHSDPLKSKHQLD(L)ERA(H)FLVTQA(F)DED(E)KENVEDAIEL(Y)TEAVDLCLKTSYETADKVLQN(K)LKQ(L)AR(Q)(A)LD(R)AEALSEPL 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](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)C(C)C.CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSGLYSNLQQYDLPYPEAI(F)ELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEA(H)GTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDI(V)(F)(F)(G)(E)(P)(L)PQRFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGK 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)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(O)N[C@H]1CCC2C(C)CC(O)OC2C1 |
[INST] Generate new ligand in SMILES that have affinity to this target KLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQDLPYPEAI(F)ELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEA(H)GTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDI(V)F(F)(G)(E)(P)(L)PQRFLLHVVDFPMADLLLILGTSLE(V)EPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGK 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)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](O)NC1CCC2C(C)CC(O)OC2C1 |
[INST] Generate new ligand in SMILES that have affinity to this target KLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRDLPYPEAI(F)ELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLERVSGIPASKLVEA(H)GTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDI(V)F(F)(G)(E)(P)(L)PQRFLL(H)VVDFPMADLLLILGTSLEV(E)(P)FASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKL 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)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(O)NC1CCC2C(C)CC(O)OC2C1 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target SACPLRTIKRVQFGVLSPDELKRMSVTEGGIKYPETTEGGRPKLGGLMDPRQGVIERTGRCQTCAGNMTECPGHFGHIELAKPVFHVGFLVKTMKVLRCVCFFCSKLLVDSNNPKIKDILAKSKGQPKKRLTHVYDLCKGKNICEHGGCGRYQPRIRRSGLELYAEWKHVNEDSQEKKILLSPERVHEIFKRISDEECFVLGMEPRYARPEWMIVTVLPVPPLSVRPAVVMQGSARNQDDLTHKLADIVKINNQLRRNEQNGAAAHVIAEDVKLLQFHVATMVDNELPGLPRAMQKSGRPLKSLKQRLKGKEGRVRGNLMGKRVDFSARTVITPDPNLSIDQVGVPRSIAANMTFAEIVTPFNIDRLQELVRRGNSQYPGAKYIIRDNGDRIDLRFHPKPSDLHLQTGYKVERHMCDGDIVIFNRQPTLHKMSMMGHRVRILPWSTFRLNLSVTTPYNADFDGDEMNLHLPQSLETRAEIQELAMVPRMIVTPQSNRPVMGIVQDTLTAVRKFTKRDVFLERGEVMNLLMFLSTWDGKVPQPAILKPRPLWTGKQIFSLIIPGHINCIRTHSTHPDDEDSGPYKHISPGDTKVVVENGELIMGILCKKSLGTSAGSLVHISYLEMGHDITRLFYSNIQTVINNWLLIEGHTIGIGDSIADSKTYQDIQNTIKKAKQDVIEVIEKAHNNELEPTPGNTLRQTFENQV(N)RILNDA(R)DKTGSSAQKSLSEYNNFKSMVVSGAKGSK(I)NI(S)(Q)VIAV(V)(G)(Q)(Q)(N)VEGKRIPFGFKHRTLPHFIKDDYGPESRGFVENSYLAGLTPTEFFF(H)AM(G)GR(E)GLIDTAVKTAETGYIQRRLIKSMESVMVKYDATVRNSINQVVQLRYGEDGLAGESVEFQNLATLKPSNKAFEKKFRFDYTNERALRRTLQEDLVKDVLSNAHIQNELEREFERMREDREVLRVIFPTGDSKVVLPCNLLRMIWNAQKIFHINPRLPSDLHPIKVVEGVKELSKKLVIVNGDDPLSRQAQENATLLFNIHLRSTLCSRRMAEEFRLSGEAFDWLLGEIESKFNQAIAHPGEMVGALAAQSLGEPATQMTLNTF(H)YAGVSAKNVTLGVPRLKELINISKKPKTPSLTVFLLGQSARDAERAKDILCRLEHTTLRKVTANTAIYYDPNPQSTVVAEDQEWVNVYYEMPDFDVARISPWLLRVELDRKHMTDRKLTMEQIAEKINAGFGDDLNCIFNDDNAEKLVLRIRIMNSDENKMQEEEEVVDKMDDDVFLRCIESNMLTDMTLQGIEQISKVYMHLPQTDNKKKIIITEDGEFKALQEWILETDGVSLMRVLSEKDVDPVRTTSNDIVEIFTVLGIEAVRKALERELYHVISFDGSYVNYRHLALLCDTMTCRGHLMAITRHGVNRQDTGPLMKCSFEETVDVLMEAAAHGESDPMKGVSENIMLGQLAPAGTGCFDLLLDAEKCKYGMEIP 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]1NC(=O)CNC(O)[C@@H]2CC3C4CCC(O)CC4N[C@@H]3[S@@H](O)C[C@H](NC(=O)CNC1=O)C(O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1[C@H](O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(O)N2 |
[INST] Generate new ligand in SMILES that have affinity to this target GAFAGRRAACGAVLLTELLE(R)AAF(Y)GITSNLVLFLNGAPFCWEGAQASEALLLFMGLT(Y)LGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATV(K)ANITPFG(A)DQVKDRGPEATRRF(F)(N)WF(Y)WSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCEEKVEDVKALVKIVPVFLALIPYWTV(Y)FQMQTTYVLQSLHLRIPEISNITTTPHTLPAAWLTMFDAVLILLLIPLKDKLVDPILRRHGLLPSSLKRIAVGMFFVMCSAFAAGILESKRLNLVKEKTINQTIGNVVYHAADLSLWWQVPQYLLIGIS(E)IFA(S)(I)AG(L)(E)FAYSAAPKSMQSAIMGLFFFFSGVGSFVGSGLLALVSIKAIGWMSSHTDFGNINGCYLNYYFFLLAAIQGATLLLFLIISVKY 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](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YLV(C)GE(R)(G)(F)(F)YTPKA 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)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC1=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target ANIVGGIEYSINNASLCSVGFSVTRGATKGFVTAG(H)CGTVNATARIGGAVVGTFAARVFPGNDRAWVSLTSAQTLLPRVANGSSFVTVRGSTEAAVGAAVCRSGRTTGYQCGTITAKNVTAN(Y)AEGAVRGLTQGNACMGR(G)D(S)GGSWITSAGQAQGVM(S)(G)(G)NVQSNGNNCGIPASQRSSLFERLQPILSQYGLSLVTG 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](C)NC(=O)[C@H](C)N)B(O)O |