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[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPQTCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEGIDLVTD 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 |
[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPQKCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPE 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 |
[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPQTCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYP 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 |
[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLPQTCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYP 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](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALLSQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSRIYSTAKVCLTCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWA(Q)SWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWEGSMLEKPADGREVVC(H)(A)SAWDFYNRKDFRIKQCTRVTMDQLSTVH(H)(E)MG(H)IQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTESDINYLLKMALEKIA(F)LPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGA(K)F(H)VPNVTP(Y)IR(Y)FVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYP 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](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLAL(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LTLWTSDMQD 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[PH](O)(O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LTL(W)TSD 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.OCCO |
[INST] Generate new ligand in SMILES that have affinity to this target GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQ(L)LRD(N)LT(L)(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASW(R)IISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LTL(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASW(R)IISSIEQ(K)EES(R)GNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQ(L)LRD(N)LTL(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.OCCO,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASW(R)IISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQ(L)LRD(N)LTL(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQ(L)LRD(N)LTLWTS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQLLRD(N)LTL(W)TSD 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.OCO |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FY(Y)(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LT(L)(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASW(R)IISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FY(Y)(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LTL(W)TSD 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FS(V)FY(Y)(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LTL(W)TS 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](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRD(N)LT(L)(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O.OCO |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQ(L)LRD(N)LTL(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQLLRD(N)LT(L)(W)T 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target MASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFY(Y)(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQ(L)LRD(N)LTLWTS 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](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQ(L)LRD(N)LT(L)(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target MASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFY(Y)EILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQ(L)LRD(N)LTLWTSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target ASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQ(L)LRD(N)LTL(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O.OCO |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFY(Y)EILNSPDRACNLAKQAFDEAIAELYKDSTLIMQ(L)LRD(N)LTL(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAY(K)NVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLA(L)(N)FSVFYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTL(I)MQLLRD(N)LT(L)(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O.OCO |
[INST] Generate new ligand in SMILES that have affinity to this target GREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGAR(R)ASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYH(R)(Y)LAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRL(G)LA(L)(N)FSVFYY(E)ILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQ(L)LRD(N)LTL(W)TSD 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)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO[PH](O)(O)O)C(O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target GTVNWSVEDIVKGINSNNLESQLQATQAARKLL(S)(R)EKQPPIDNIIRAGLIPKFVSFLGKTDCSPIQFESA(W)ALT(N)IA(S)(G)TSEQ(T)KAVVDGGAIPAFISLLASPHAHISE(Q)AV(W)ALG(N)IA(G)(D)GSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLRNLT(W)TLSNLC(R)NKNPAPPLDAVEQILPTLVRLLHHNDPEVLADSC(W)AIS(Y)LTDGPNERIEMVVKKGVVPQLVKLLGATELPIVTPALRAIGNIVTGTDEQTQKVIDAGALAVFPSLLTNPKTNIQKEATWTMSNITAGRQDQIQQVVNHGLVPFLVGVLSKADFKTQKEAAWAITNYTSGGTVEQIVYLVHCGIIEPLMNLLSAKDTKIIQVILDAISNIFQAAEKLGETEKLSIMIEECGGLDKIEALQRHENESVYKASLNLIEKY 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](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)NCC=O |
[INST] Generate new ligand in SMILES that have affinity to this target GTVNWSVEDIVKGINSNNLESQLQATQAARKLL(S)REKQPPIDNIIRAGLIPKFVSFLGKTDCSPIQFESA(W)ALT(N)IA(S)(G)TSEQ(T)KAVVDGGAIPAFISLLASPHAHISE(Q)AV(W)ALG(N)IAG(D)GSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLRNLT(W)TLSNLC(R)NKNPAPPLDAVEQILPTLVRLLHHNDPEVLADSC(W)AIS(Y)LTDGPNERIEMVVKKGVVPQLVKLLGATE(L)(P)IVTPALRAIGNIVTGTDEQTQKVIDAGALAVFPSLLTNPKT(N)IQKEATWTMSNITAGRQDQIQQVVNHGLVPFLVGVLSKADFKTQKEAAWAITNYTSGGTVEQIVYLVHCGIIEPLMNLLSAKDTKIIQVILDAISNIFQAAEKLGETEKLSIMIEECGGLDKIEALQRHENESVYKASLNLIEKYFS 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](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)NCC=O)[C@@H](C)O[PH](O)(O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)L(P)GAGGY(P)(G)(G)KIIFIDTENTFRPDRLRDIADRF(N)VDHDAVLDNVLYARAYTSEHQMELLDYVAAKFHEEAGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGD 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](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)LPGAGGYP(G)GKIIFIDTENTFRPDRLRDIADRFN(V)DHDAVLD(N)VLYARAYTSEHQMELLDYVAAKFHEEAGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGD 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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O |
[INST] Generate new ligand in SMILES that have affinity to this target PGFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)LPGAGGYP(G)(G)KIIFIDTENTFRPDRLRDIADRF(N)(V)DHDAVLD(N)VLYARAYTSEHQMELLDYVAAKFHE(E)AGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGD 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)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target PGFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)LPGAGGY(P)(G)(G)KIIFIDTENTFRPDRLRDIADRFN(V)DHDAVLDNVLYARAYTSEHQMELLDYVAAKFHEEAGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGD 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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)Cc1ccccc1 |
[INST] Generate new ligand in SMILES that have affinity to this target GFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)LPGAGGYP(G)(G)KIIFIDTENTFRPDRLRDIADRFN(V)DHDAVLD(N)VLYARAYTSEHQMELLDYVAAKFHEEAGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGDA 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](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target PGFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)L(P)GAGGYP(G)GKIIFIDTENTFRPDRLRDIADRFN(V)DHDAVLD(N)VLYARAYTSEHQMELLDYVAAKFHE(E)AGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIG 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)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GFLTAFEYSEKRKMVFHITTGSQEFDKLLGGGIESMAITEAFGEFRTGKTQLSHTLCVTA(Q)L(P)GAGGYP(G)(G)KIIFIDTENTFRPDRLRDIADRFN(V)(D)HD(A)VLD(N)VLYARAYTSEHQMELLDYVAAKFHEEAGIFKLLIIDSIMALFRVDFSGRGELAERQQKLAQMLSRLQKISEEYNVAVFVTNQMTKKPIGGHILAHASTTRISLRKGRGELRIAKIYDSPEMPENEATFAITAGGIGD 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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)Cc1ccccc1 |
[INST] Generate new ligand in SMILES that have affinity to this target (L)SQK(E)QDIQMM(L)AADV(H)LGTKNCDFQMERYA(Y)(K)R(R)(S)DGIYI(I)(N)(L)GKTWEKLQLAARVIVAIENPQDIIVQSARPYGQRAVLKFAQHTGANAIAGRHTPGTFTNQMQTSFSEPRLLILTDPRTDHQPIKESALGNIPTIAFCDTDSPMRYVDIGIPANNKGRNSIGCLYWLLARMVLQMRGTILPGHKWDVMVDLFFYRD 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](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=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](C)C=O)C(C)C)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target DDLTEGQKNAFNIVMKAIKEKKHHVTINGPAGTGATTLTKFIIEALISTGETGIILAAPTHAAKKILSKLSGKEASTIHSILKINPVTYEENVLFEQKEVPDLAKCRVLICDEVSMYDRKLFKILLSTIPPWCTIIGIGDNKQIRPVDPGENTAYISPFFTHKDFYQCELTEVKRSNAPIIDVATDVRNGKWIYDKVVDGHGVRGFTGDTA(L)RDFMVNYFSIVKSLDDLFENRVMAFTNKSVD(K)LNS(I)IR(K)KIFETDKDFIVGEIIVMQEPLFKTYKIDGKPVSEIIFNNGQLVRIIEAEYTSTFVKARGVPGEYLIRHWDLTVETYGDDEYYREKIKIISSDEELYKFNLFLGKTAETYKNWNKGGKAPWSDFWDAKSQFSKVKALPASTFHKAQGMSVDRAFI(Y)T(P)CIHYADVELAQQLLYVGVTRGRYDVFYV 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(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CC(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target NMLYHRYLKPNSEYYKKIEVIYELNDIPDTYAVFLDNESVWKHYHVKGSTLPEQGWKIHVTSSLEDSKDVLDKVARLCIDKKIEFKHLKDKDSFMKMNSKNAN(R)ASSGKFITIYPTNNEVFVELLEMISLAIQDFKKGPYI(L)NDKRWKNSNVFYRYGGFKGIFNEHGEHCIRDKEGNLIKDQRNP(F)YQVPDFVKDFDDYLNTINNSRLGKYK(I)ET(A)LSFSNAGGV(Y)LATRKKDNLKVIIKEA(R)PSAGLDGAAQDALARQKIEYDALKKLKDVSGVVNLIEYFQE(W)E(H)YFLVEEFIEGRDLRQWIAQEFPFFEDNNGMSNHIKDVKMILLQLLDLIDSMHNQGVAMGDLQPANIMVTEDLTVRIIDFETAMPVNSDDRPAMLTTGFVSHEMKVSGARDWFGFKRLVRYLALPVLTSEDLEGYLQYNHLNWIKENYGYEFYSFIVDLQEKCDKRIKDYQTFIPKEINLNDQTSDFNLTSIINKLIIGVESSLTNDERFINGDIRQFEMNGGKFNFLTGGSGAAFTLTKNKSSIAEVDKWIQSVLLDNLPLIEEDGLFTGKTGILALLYDKGYKEVVLNELKILKDNINQTDISIRSGLSGIGLFVISLYLETENKEYLKLAKDLERMIKLNRAKDKQLKVKDWMAVDIGVIDGLSGVSLFYSALYSVTQNQKYLEEAEVLIKEDLESTKKDDVTGVLQTVDN(K)NRLLPYLSGGSIGVAISIWFLNHVSGQDLYREEMNSILKLSKTRCTISGGLFDGAGSFLLIPSMVKNDKNREVILNEVLNLLNIFLIEKNSYYVYPGQFSYRLADDVYTGSSGIILALMGVIKGNPLYWLPLVNSDEFLARTKV 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)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target NMLYHRYLKPNSEYYKKIEVIYELNDIPDTYAVFLDNESVWKHYHVKGSTLPEQGWKIHVTSSLEDSKDVLDKVARLCIDKKIEFKHLKDKDSFMKMNSKNAN(R)ASSGKFITIYPTNNEVFVELLEMISLAIQDFKKGP(Y)ILNDKRWKNSNVFYRYGGFKGIFNEHGEHCIRDKEGNLIKDQRNP(F)YQVPDFVKDFDDYLNTINNSRLGKYKIET(A)LS(F)SNAGGV(Y)LATRKKDNLKVIIK(E)ARPSAGLDGAAQDALARQKIEYDALKKLKDVSGVVNLIEYFQE(W)E(H)YFLVEEFIEGRDLRQWIAQEFPFFEDNNGMSNHIKDVKMILLQLLDLIDSMHNQGVAMGDLQPANIMVTEDLTVRIIDFETAMPVNSDDRPAMLTTGFVSHEMKVSGARDWFGFKRLVRYLALPVLTSEDLEGYLQYNHLNWIKENYGYEFYSFIVDLQEKCDKRIKDYQTFIPKEINLNDQTSDFNLTSIINKLIIGVESSLTNDERFINGDIRQFEMNGGKFNFLTGGSGAAFTLTKNKSSIAEVDKWIQSVLLDNLPLIEEDGLFTGKTGILALLYDKGYKEVVLNELKILKDNINQTDISIRSGLSGIGLFVISLYLETENKEYLKLAKDLERMIKLNRAKDKQLKVKDWMAVDIGVIDGLSGVSLFYSALYSVTQNQKYLEEAEVLIKEDLESTKKDDVTGVLQTVDN(K)NRLLPYLSGGSIGVAISIWFLNHVSGQDLYREEMNSILKLSKTRCTISGGLFDGAGSFLLIPSMVKNDKNREVILNEVLNLLNIFLIEKNSYYVYPGQFSYRLADDVYTGSSGIILALMGVIKGNPLYWLPLVNSDEFLARTKV 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)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target TNQLQYLHKVVMKALWKHQFAWP(F)RQP(V)DAVKLGLP(D)YHK(I)IKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYI(Y)(N)(K)PT(D)DIVLMAQTLEKIFLQKVASMPQE 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)CCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]([NH3+])CO)C(O)NCC=O |
[INST] Generate new ligand in SMILES that have affinity to this target TNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLP(D)YHKIIKQPMDMGTIKRRLENNYYWAASECMQDFNTMFTNCYI(Y)(N)(K)PT(D)DIVLMAQTLEKIFLQKVASMPQ 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)CCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]([NH3+])CO)C(O)NCC=O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDE(E)TG(K)(V)K(A)(H)SQ(T)DRE(N)LR(I)ALR(Y)YNQSEAGSHTLQMM(F)GCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQI(T)KRK(W)EAAH(V)AEQ(Q)RA(Y)LEGTCVDGLRR(Y)LENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWE 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHS(M)R(Y)FSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDE(E)TG(K)VK(A)(H)SQ(T)DRE(N)LR(I)ALR(Y)YNQSEAGSHTLQMM(F)GCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQI(T)KR(K)(W)EAAH(V)AEQ(Q)RA(Y)LEGTCVDGLRR(Y)LENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDE(E)TG(K)(V)KA(H)SQ(T)DRE(N)LR(I)ALR(Y)YNQSEAGSHTLQMM(F)GCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQI(T)KR(K)(W)EAAH(V)AEQQRA(Y)LEG(T)CVDGLRR(Y)LENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDE(E)TG(K)VKA(H)SQ(T)DRE(N)LR(I)ALR(Y)YNQSEAGSHTLQMM(F)GCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQI(T)KR(K)(W)EAAH(V)AE(Q)(Q)RA(Y)LEGTCVDGLRR(Y)LENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDE(E)TG(K)VKA(H)SQ(T)DRE(N)LR(I)ALR(Y)YNQSEAGSHTLQMM(F)GCDVGSDGRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQI(T)KR(K)(W)EAAH(V)AEQ(Q)RA(Y)LEGTCVDGLRR(Y)LENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ARVTRIFLVVVYSIVCFLGILGNGLVIIIATFKMKKTVNMVWFLNLAVADFLFNVFLPI(H)ITYAAMD(Y)HWVFGTAMCKISNFLL(I)HNMFTSVFLLTIISSDRCISVLLPVWSQNHRSVRLAYMACMVIWVLAFFLSSPSLVF(R)DTANLHGKISC(F)(N)NFSLSDPVGYSR(H)MVVTVT(R)FLCGFLVPVLIITACYLTIVCKLQRNRLAKTKKPFKIIVTIIITFFLCWCP(Y)HTLNLLELHHTAMPGSVFSLGLPLATALAIANSCMNPILYVFMGQDFKKFK 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](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GTVNWSVEDIVKGINSNNLESQLQATQAARKLL(S)REKQPPIDNIIRAGLIPKFVSFLGKTDCSPIQFESA(W)ALT(N)IA(S)(G)TSEQ(T)KAVVDGGAIPAFISLLASPHAHISE(Q)AV(W)ALG(N)IA(G)(D)GSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLR(N)LT(W)TLSNLC(R)NKNPAPPLDAVEQILPTLVRLLHHNDPEVLADSC(W)AIS(Y)LT(D)GPNERIEMVVKKGVVPQLVKLLGATELPIVTPAL(R)AIGNI(V)T(G)TDEQTQKVIDAGALAVFPSLLTNPKTNIQKEAT(W)TMS(N)ITAGRQDQIQQVVNHGLVPFLVGVLSKADFKTQK(E)AA(W)AITNYT(S)GGTVEQIVYLVHCGIIEPLMNLLSAKDTKIIQVILDAISNIFQAAEKLGETEKLSIMIEECGGLDKIEALQRHENESVYKASLNLIEKYFS 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)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O.CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target ASMGTLAFDEYGRPFLIIKDQDRKSRLMGLEALKSHIMAAKAVANTMRTSLGPNGLDKMMVDKDGDVTVTNDGATILSMMDVDHQIAKLMVELSKSQDDEIGDGTTGVVVLAGALLEEAEQLLDRGIHPIRIADGYEQAARVAIEHLDKISDSVLVDIKDTEPLIQTAKTTLGSKVVNSCHRQMAEIAVNAVLTVADMERRDVDFELIKVEGKVGGRLEDTKLIKGVIVDKDFSHPQMPKKVEDAKIAILTCPFEPPKPKTKHKLDVTSVEDYKALQKYEKEKFEEMIQQIKETGANLAICQWG(F)(D)DEANHLLLQNNLPAV(R)(W)VGGPEIELIAIATGGRIVPRFSELTAEKLGFAGLVQEISFGTTKDKMLVIEQCKNSRAVTIFIRGGNKMIIEEAKRSLHDALCVIRNLIRDNRVVYGGGAAEISCALAVSQEADKCPTLEQYAMRAFADALEVIPMALSENSGMNPIQTMTEVRARQVKEMNPALGIDCLHKGTNDMKQQHVIETLIGKKQQISLATQMVRMILKIDDIRKP 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](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C=O)CCC(N)=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target CPAERSGHVAVSDGRHMFVWGG(Y)KSNDFYLPREELWIYNMETGRWKKINTEGDVPPSM(S)GSCAVCVDRVLYLFGG(H)HSRGNTNKFYMLDSRSRVLQWERIDCQGIPPSSKD(K)LGVWVYKNKLIFFGG(Y)GYLPEDKVLGTFEFDETSFWNSSHP(R)G(W)NDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGG(R)YRDA(R)MNDLHYLNLDTWEWNELIPQGICPVGR(S)(W)HSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRL(W)HTACASDEGEVIVFGGCANNLLV(H)HRAAHSNEILIFSVQ 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](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target CPAERSGHVAVSDGRHMFVWGG(Y)KSNYDFYLPREELWIYNMETGRWKKINTEGDVPPSM(S)GSCAVCVDRVLYLFGG(H)HSRGNTNKFYMLDSRSTDRVLQWERIDCQGIPPSSKD(K)LGVWVYKNKLIFFGG(Y)GYLPEDKVLGTFEFDETSFWNSSHP(R)G(W)NDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGG(R)YRDA(R)MNDLHYLNLDTWEWNELIPQGICPVGR(S)(W)HSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRL(W)HTACASDEGEVIVFGGCANNLLV(H)HRAAHSNEILIFSVQ 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](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target EWKPDEQGLQQILQLLKESQSPDTTIQRTVQQKLEQLNQYPDFNNYLIFVLTKLKSEDEPTRSLSGLILKNNVKAHFQNFPNGVTDFIKSECLNNIGDSSPLIRATVGILITTIASKGELQNWPDLLPKLCSLLDSEDYNTCEGAFGALQKICEDSAEILDSDVLDRPLNIMIPKFLQFFKHSSPKIRSHAVACVNQFIISRTQALMLHIDSFIENLFALAGDEEPEVRKNVCRALVMLLEVRMDRLLPHMHNIVEYMLQRTQDQDENVALEAC(E)FWLTLAEQPICKDVLVRHLPKLIPVLVNGMKYSDIDIILLKGDVEEDEIDDDDTISD(W)NLR(K)CS(A)AAL(D)VLANVYRDELLPHILPLLKELLFHHEWVVKESGILVLGAIAEGCMQGMIPYLPELIPHLIQCLSDKKALVRSITC(W)TLS(R)YAHWVVSQPPDTYLKPLMTELLKRILDSNKRVQEAACSAF(A)TLE(E)EACTELVPYLAYILDTLVFAFSKYQHKNLLILY(D)AIGTLADSVGHHLNKPEYIQMLMPPLIQKWNMLKDEDKDLFPLLECLSSVATALQSGFLPYCEPVYQRCVNLVQKTLAQAMLNNAQPDQYEAPDKDFMIVALDLLSGLAEGLGGNIEQLVARSNILTLMYQCMQDKMPEVRQSSFALLGDLTKACFQHVKPCIADFMPILGTNLNPEFISVCNNATWAIGEISIQMGIEMQPYIPMVLHQLVEIINRPNTPKTLLENTAITIGRLGYVCPQEVAPMLQQFIRPWCTSLRNIRDNEEKDSAFRGICTMISVNPSGVIQDFIFFCDAVASWINPKDDLRDMFCKILHGFKNQENWRRFSDQFPLPLKERLAAF 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](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target SHSMR(Y)F(D)TAVSRPGRGEPRFISVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGPEYWD(R)(E)TQ(K)(Y)KR(Q)AQADRV(N)LR(K)(L)RG(Y)YNQSEDGSHTLQ(W)M(Y)GCDLGPDGRLLRGYDQSAYDGKDYIALNEDLRSWTAADTAAQI(T)QR(K)(W)EAAREAE(Q)(W)RA(Y)LEGTCVE(W)LRR(Y)LENGKETLQRAEHPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPEPLTLRW 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SHSMR(Y)F(D)TAVSRPGRGEPRFISVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGPEYWDR(E)TQ(K)(Y)KR(Q)AQ(A)DRV(N)LRKLRGYYNQSEDGSHTLQ(W)M(Y)GCDLGPDGRLLRGYDQSAYDGKDYIALNEDLRSWTAADTAAQI(T)QR(K)(W)EAAR(E)AE(Q)(W)RA(Y)LEGTCVE(W)LRR(Y)LENGKETLQRAEHPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPEPLTLRW 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASS(Y)S(E)GE(D)EAFFGQGTRLTVVEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRA 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASS(Y)S(E)G(E)(D)EAFFGQGTRLTVVEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRA 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](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target NALHLE(P)(L)H(F)L(Q)CHSRN(N)(S)(P)KDLETQLWACAFEPAREEGHSGATSQTVATCGGEAVCVIDCQTGL(V)(L)(H)(K)(Y)(K)VPGEEFFSVAWTALTVKRWNMLAAAGLRGMVRLLHVRA(G)(F)(C)CSVIRAHKKAIATLCFSPTHETHLFTASYDKRIILWDIGVPNHDYKFQASQLLTLNCSSVPLRLCPVATCPDSFLLAGCEGGCGCWDVRLDQPQKQRVCEVNFVFSGDSEVSGQRVDGLAFVNEDVVASKGSGQGTIYLWSWSQTWASRGSQSVLPVVILAQLQWSPTSLAYFSLSTCPDKNLVLCGDEEGSVWIYDVEHLLKQTLQPPTQILKWPQ(P)(V)(A)LGQPVTKTMVNTVVANAAFTYLTALTDSNIVSIWRR 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](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target LHLEPLH(F)(L)(Q)CHSRN(N)S(P)KDLETQLWACAFEPQTVATCGGEAVCVIDCQTGL(V)(L)(H)(K)(Y)KVPGEEFFSVAWTALTRWNMLAAAGLRGMVRLLHVRA(G)(F)(C)CSVIRAHKKAIATLCFSPTHETHLFTASYDKRIILWDIGVPNHDYKFQASQLLTLNCSSVPLRLCPVATCPDSFLLAGCEGGCGCWDVRLDQPQKQRVCEVNFVFQRVDGLAFVNEDVVASKGSGQGTIYLWSWSQTWASRGSQSVLPVVILAQLQWSPTSLAYFSLSTCPDKNLVLCGDEEGSVWIYDVEHLTLQPPTQILKWPQP(V)(A)LGQPVTKTMVNTVVANAAFTYLTALTDSNIVSIWK 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](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKE(R)E(F)VSAISRQDD(S)(H)(Y)YADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTR(R)(E)(F)(I)T(P)YWGQGTQVTVSS 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](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKE(R)E(F)VSAISRQDD(S)(H)(Y)YADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTR(R)(E)(F)(I)T(P)YWGQGTQVTVSS 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](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKE(R)E(F)VSAISRQDD(S)(H)(Y)YADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTR(R)(E)(F)(I)T(P)YWGQGTQVTVSS 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](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VQLQASGGGFVQPGGSLRLSCAASGTTSFGDTMGWFRQAPGKE(R)E(F)VSAISRDDS(H)(Y)YADSVKGRFTISRDNSKNTVYLQMNSLRAEDTATYYCAEWMNTR(R)(E)(F)(I)T(P)YWGQGTQVTVSS 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](CCCCN)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target CHPRLSLHRPALEDLLLGSEANLTCTLTGLRDASGVTFTWTPSSGKSAVQGPPERDLCGCYSVSSVLPGCAEPWNHGKTFTCTAAYPESKTPLTATLSKSGNTFRPEVHLLPPPSEELALNELVTLTCLARGFSPKDVLVRWLQGSQ(E)LPREKYLTWASRQEPSQGTTTFAVTSILRVAAEDWKKGDTFSCMVGHEALP(L)A(F)T(Q)(K)[T]I(D)RLAG(K)PTHVNVSVVMA 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](CCCC[NH3+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)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](C=O)CCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AYSTREILLALCIRDSRVHGNGTLHPVLELAARETPLRLSPEDTVVLRYHVLLEE(I)IER(N)SETFTETWNR(F)IT(H)TEHVDL(D)FNSVFL(E)IFHRGDPSL(G)(R)A(L)AWMA(W)CMHACRTLCCNQSTPYYVVDLSVRGMLEASEGLDGWIHQQGGWSTLIEDN 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](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C=O)CC(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AYSTREILLALCIRDSRVHGNGTLHPVLELAARETPLRLSPEDTVVLRYHVLLEEIIER(N)SETFTE(T)WN(R)FIT(H)TEHVDLDFN(S)(V)FLE(I)FHRGDPSL(G)(R)A(L)AWMA(W)CMHACRTLCCNQSTPYYVVDLSVRGMLEASEGLDGWIHQQGGWSTLIED 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](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CCSC)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AYSTREILLALCIRDSRVHGNGTLHPVLELAARETPLRLSPEDTVVLRYHVLLEEIIER(N)SETFTE(T)WN(R)FITHTEHVDL(D)FN(S)VFL(E)(I)FHRGDPSL(G)(R)A(L)AWMA(W)CMHACRTLCCNQSTPYYVVDLSVRGMLEASEGLDGWIHQQGGWSTLIEDN 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](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C=O)CC(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AYSTREILLALCIRDS(R)VHGNGTLHPVLELAA(R)ETPLRLSPEDTVVLRYHVLLEE(I)IER(N)SETFTETWN(R)(F)ITHTEHVDLDFN(S)(V)FL(E)(I)FHRGDPSL(G)(R)A(L)AWMA(W)CMHACRTLCCNQSTPYYVVDLSVRGMLEASEGLDGWIHQQGGWSTLIED 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](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)CCSC)C(C)C,CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C=O)CC(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AYSTREILLALCIRDSRVHGNGTLHPVLELAARETPLRLSPEDTVVLRYHVLLEEIIER(N)SETFTETWN(R)FITHTEHVDLDFN(S)(V)FMAWCMHACRTLCCNQSTPYYVVDLSVRGMLEASEGLDGWIHQQGGWSTLIED 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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C=O)CC(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target QLDHVDIDLTDK(A)AM(Q)DGA(R)TFA(N)(Y)CMGCHSAKFQRYERVATDLG(I)PAD(L)MME(K)LVFTGAKIGDHMDIGMKPADAKTWFGAAPPDLTLVARVRGTDWLYSYLRSFYEDPKRPWGVNNVIFPNVGMPNVLAPLQGRQVIGCKQVQVVEDGKKQFDPLTGTPLTHEACDQLTVVPKTGELNEAQFDEKVKNLVTFLAYSANPNKLASERIGTYVLLYLAFFFVFAYLLKREYWK 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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AGDAAAGQAKAAVCGACHGADGNSPAPNFPKLAGQGERYLLKQMHDIKDGKRTVLEMTGLLTNLSDQDLADIAAYFASQKMSVG(M)(A)D(P)NL(V)AQGEALF(R)GGKIAEGMPACTGCHS(P)SGVGIATAGFPHLGGQHATYVAKQLTDFREGTRTNDGDTKIMQSIAAKLSNKDIAAISS(Y)IQ(G)(L)(H) 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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target PQLDHVDIDLTDK(A)AM(Q)DGA(R)TFA(N)(Y)CMGCHSAKFQRYERVATDLG(I)PAD(L)MME(K)LVFTGAKIGDHMDIGMKPADAKTWFGAAPPDLTLVARVRGTDWLYSYLRSFYEDPKRPWGVNNVIFPNVGMPNVLAPLQGRQVIQLTVVPKTGELNEAQFDEKVKNLVTFLAYSANPNKLASERIGTYVLLYLAFFFVFAYLLKREYWK 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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AGDAAAGQAKAAVCGACHGADGNSPAPNFPKLAGQGERYLLKQMHDIKDGKRTVLEMTGLLTNLSDQDLADIAAYFASQKMSVG(M)(A)D(P)NL(V)AQGEALFRGGKIAEGMPACTGCHS(P)SGVGIATAGFPHLGGQHATYVAKQLTDFREGTRTNDGDTKIMQSIAAKLSNKDIAAISS(Y)IQ(G)(L)(H) 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)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target QLDHVDIDLTDK(A)AM(Q)DGA(R)TFA(N)(Y)CMGCHSAKFQRYERVATDLG(I)PAD(L)MME(K)LVFTGAKIGDHMDIGMKPADAKTWFGAAPPDLTLVARVRGTDWLYSYLRSFYEDPKRPWGVNNVIFPNVGMPNVLAPLQGRQVIGCKQVQVVEDGKKQFDPLTGTPLTHEACDQLTVVPKTGELNEAQFDEKVKNLVTFLAYSANPNKLASERIGTYVLLYLAFFFVFAYLLKREYWK 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)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AGDAAAGQAKAAVCGACHGADGNSPAPNFPKLAGQGERYLLKQMHDIKDGKRTVLEMTGLLTNLSDQDLADIAAYFASQKMSVG(M)(A)D(P)NL(V)AQGEALF(R)GGKIAEGMPACTGCHS(P)SGVGIATAGFPHLGGQHATYVAKQLTDFREGTRTNDGDTKIMQSIAAKLSNKDIAAISS(Y)IQ(G)(L)(H) 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)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target PQLDHVDIDLTDK(A)AM(Q)DGA(R)TFA(N)(Y)CMGCHSAKFQRYERVATDLG(I)PAD(L)MME(K)LVFTGAKIGDHMDIGMKPADAKTWFGAAPPDLTLVARVRGTDWLYSYLRSFYEDPKRPWGVNNVIFPNVGMPNVLAPLQGRQVIQLTVVPKTGELNEAQFDEKVKNLVTFLAYSANPNKLASERIGTYVLLYLAFFFVFAYLLKREYWK 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)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AGDAAAGQAKAAVCGACHGADGNSPAPNFPKLAGQGERYLLKQMHDIKDGKRTVLEMTGLLTNLSDQDLADIAAYFASQKMSVG(M)(A)D(P)NL(V)AQGEALFRGGKIAEGMPACTGCHS(P)SGVGIATAGFPHLGGQHATYVAKQLTDFREGTRTNDGDTKIMQSIAAKLSNKDIAAISS(Y)IQ(G)(L)(H) 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)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDN(G)S(G)(Q)(Y)STIIAGMDFVASDKNNRNCPKGVVASLS(L)(G)GGYSSSVNSAAARLQSSGVMVAVAA(G)(N)NNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTDILSTWIGGSTRSISGT(S)MATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA 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](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNG(H)GTHCAGTVGSRTYGVAKKTQLFGVKVLDDN(G)(S)(G)(Q)(Y)STIIAGMDFVASDKNNRNCPKGVVASLS(L)(G)GGYSSSVNSAAARLQSSGVMVAVAA(G)(N)NNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTDILSTWIGGSTRSISGT(S)MATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA 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](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNG(H)GTHCAGTVGSRTYGVAKKTQLFGVKVLDDN(G)S(G)(Q)(Y)STIIAGMDFVASDKNNRNCPKGVVASLS(L)(G)GGYSSSVNSAAARLQSSGVMVAVAAG(N)NNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTDILSTWIGGSTRSISGT(S)MATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA 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](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GTVNWSVEDIVKGINSNNLESQLQATQAARKL(L)(S)(R)EKQ(P)PIDNIIRAGLIPKFVSFLGKTDCSPIQ(F)ESA(W)ALT(N)IA(S)(G)(T)(S)EQ(T)KAVVDGGAIPAFISLLASPHAHISE(Q)AV(W)ALG(N)IA(G)(D)GSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLRNLT(W)TLS(N)LC(R)(N)KNPAPPLDAVEQILPTLVRLLHHNDPEVLADSC(W)AISYLT(D)(G)P(N)ERIEMVVKKGVVPQLVKLLGATELPIVTPAL(R)AIG(N)I(V)(T)(G)TDEQ(T)QKVIDAGALAVFPSLLTNPKTNIQK(E)AT(W)TM(S)(N)IT(A)GRQDQIQQVVNHGLVPFLVGVLSKADFKTQK(E)AA(W)AIT(N)YT(S)GGTVEQIVYLVHCGIIEPLMNLLSAKDTKIIQVILDAISNIFQAAEKLGETEKLSIMIEECGGLDKIEALQRHENESVYKASLNLIEKYFSV 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]NC(=[NH2+])NCCC[C@@H](C=O)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)Cc1ccccc1,CC(C)C[C@@H](C=O)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](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1 |
[INST] Generate new ligand in SMILES that have affinity to this target FERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQF(E)ATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFA(A)G(A)M(E)NWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLN(E)GFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEV(D)EIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKA 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)NC(O)C(C)N |
[INST] Generate new ligand in SMILES that have affinity to this target NADEWIDTSKIMLDLHIDNMSSSDYIPSAIDRTDLVMVQSVHLLRKTGGRGLFAREDIPKGTCIGI(Y)TGEVYSEQEFEQYLKEHVGSDKSY(A)(M)YVGGRVIDAARKGNLTRYINFSDSQDNAEFVETTLNRKKVAKVITTKNIKAGQQLLIN(Y)(N)T(Y)EEQASRYYYFLNPGDGWLSAQEFYQTYQSQYRLEQMPYNLEGFDLKAGDRVLMTQIGRIILANYSLAKEQELNASDIDLPFLKVGSDEKILDFDEADTFTPLMAACYLGQVENVKWLIEHGANIDQQQSHSGHCPLSLTLKGYSLAKDTQKYIDIIQLLIKNQVNLLVHDRS(D)KTFLHNAALVLNNLDFQSVVKFLIGQNPIDINEYF(T)(Y)(I)(D)EN(D)FDIVMHCYNNKLFDKALVLLAFYPDYFKRNYMSDNEGHNQF(N)INAFRKAIKDFNSNERSILLMQLRESGLHLPEDLLEQLG 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](CO)NC(=O)CCCCCN)C(=O)NCC=O.C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C=O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVRPWEFRKVIQAEYRERLPRNYELKHWKKPSKIMIGSIL(R)LLE(T)NTVSALDSVFEKYEKEMNQMTHGDNNEVKRIYSKKERLLEIILTKIKKKLRQAKFPSRISERDLDI(E)YI(Y)SK(R)(Q)FI(Q)NRYSQELQNNERLEAILSREQNLLEETRKL 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)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)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)O.[O-]S(O)(O)O |
[INST] Generate new ligand in SMILES that have affinity to this target LSSSITSVTTIDVLSSLFINLFENDLIPQALKDFNKSDDDQFRKLLYKLDLRLFQTISDQMTR(D)LK(D)IL(D)(I)NV(S)NNELCYQLKQVLARKEDLNQQIISVRNEIQELK 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)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)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)O.[O-]S(O)(O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MIGGLFIYNHKGEVLISRVYRDDIGRNAVDAFRVNVIHARQQVRSPVTNIARTSFFHVKRSNIWLAAVTKQNVNAAMVFEFLYKMCDVMAAYFGKISEENIKNNFVLIYELLDEILDFGYPQNSETGALKTFITQHQTKEEQSQITSQVTGQIGWRREGIKYRRNEL(F)LDVLESVNLLMSPQGQVLSAHVSGRVVMKSYLSGMPECKFGMNDKIKQSIAIDDCTFHQCVRLSKFDSERSISFIPPDGEFELMRYRTTKDIILPFRVIPLVREVGRTKLEVKVVIKSNFKPSLLAQKIEVRIPTPLNTSGVQVICMKGKAKYKASENAIVWKIKRMAGMKESQISAEIELLPTNDKKKWARPPISMNFEVPFAPSGLKVRYLKVFEPKLNYSDHDVIK(W)(V)(R)YIGRSGIYETRC 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](C=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target PVQLTFYAGPNGSQFGFSLDFHKDSHGRVAIVVGAPRTLGPSQEETGGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKARQGLGASVVSWSDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGNTLSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGG(Y)(Y)F(L)GLLAQAPVADIFSSYRPGILLWHVSSQSLSFD(S)SNPEY(F)DGYWGYSVAVGEFDGDLNTTEYVVGAPTWSWTLGAVEILDSYYQRLHRLRGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVYLFLQPRGPHALGAPSLLLTGTQLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQVLVFLGQSEGLRSRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYRAQP 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]NC(=O)[C@@H]1CSSCCC(O)N[C@@H](CCCCNC(N)N)C(O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N1 |
[INST] Generate new ligand in SMILES that have affinity to this target SEARVLEDRPLSDKQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDL(S)(Y)(S)MK(D)DLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYD(M)KTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRN(R)DAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFD 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]NC(=O)[C@@H]1CSSCCC(O)N[C@@H](CCCCNC(N)N)C(O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N1 |
[INST] Generate new ligand in SMILES that have affinity to this target EWMPVTKLGRLVKDMKIKSLEEIYLFSLPIKESEIIDFFLGASLKDE(V)LKIMPV(Q)KQTRAGQRTR(F)KAFVAIGDYNGHVGLGVKCSKE(V)ATAIRGAIILAKLSIVPVRRGYWGNKIGKPHTVPCKVTGRCGSVLVRLIPAPRGTGIVSAPVPKKLLMMAGIDDCYTSARGCTATLGNFAKATFDAISKTYSYLTPDLWKETVFTKSPYQEFTDHLVKT 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](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS |
[INST] Generate new ligand in SMILES that have affinity to this target VQISKKRKFVADGIFKAELNEFLTRELAEDGYSGVEVRVTPTRTEIIILATRTQNVLGEKGRRIRELTAVVQKRFGFPEGSVELYAEKVATRGLCAIAQAESLRYKLLGGLAV(R)(R)ACYGVLRFIMESGAKGCEVVVSGKLRGQRAKSMKFVDGLMIHSGDPVNYYVDTAVRHVLLRQGVLGIKVKIMLPWDPTGKIGPKKPLPDHVSIVEPKDEILPTTPISEQK 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](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS |
[INST] Generate new ligand in SMILES that have affinity to this target ATLQDIGVSAGINILSAFVFFIIFAVLRLQPFNDRVYFSKWYLKGLRSSKFLNWMPEALKMPEPELIDHAGLDSVVYLRIYWLGLKIFTPIAVLAW(A)VLVMRFWTHI(V)MAYAFTIWTCYVLMKEYETIANMRLQFVASEARRPDQFTVLVRNVPPDADESVSELVEHFFLVNHPDHYLTHQVVCNANKLADLVKKKKKLQNWLDYYQLKYAIEHYIAEIDKISKEISKEREEVVNDPKAIMPAAFVSFKTRWAAAVCAQTQQTRNPTQWLTEWAPEPRDVFWSNLAIPYVSLTVRRLIMHVAFFFLTFFFIVPIAFVQSLATIEGIVKAAPFLKFIVDDKFMKSVIQGFLPGIALKLFLAFLPSILMIMSKFEGFTSISSLERRAAFRYYIFNLVNVFLASVIAGAAFIGVAIPMKATFFITYIMVDGWAGVAGEILMLKPLIMFHLKNAFLVKTDKDREEAMDPGSIGFNTGEPRIQLYFLLGLVYAPVTPMLLPFILVFFALAYIVYRHQIINVYNQEYESAAAFWPDVHGRVIAALVISQLLLMGLLGTAAPFLIALPVLTIGFHHFCKGRYEPAFIRYPLQEAMMKDTLETAREPNLNLKGYLQNAYVHPVFK 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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ATLQDIGVSAGINILSAFVFFIIFAVLRLQPFNDRVYFSKWYLKGLRSSKFLNWMPEALKMPEPELIDHAGLDSVVYLRIYWLGLKIFTPIAVLAW(A)VLVMRFWTHI(V)MAYAFTIWTCYVLMKEYETIANMRLQFVASEARRPDQFTVLVRNVPPDADESVSELVEHFFLVNHPDHYLTHQVVCNANKLADLVKKKKKLQNWLDYYQLKYAIEHYIAEIDKISKEISKEREEVVNDPKAIMPAAFVSFKTRWAAAVCAQTQQTRNPTQWLTEWAPEPRDVFWSNLAIPYVSLTVRRLIMHVAFFFLTFFFIVPIAFVQSLATIEGIVKAAPFLKFIVDDKFMKSVIQGFLPGIALKLFLAFLPSILMIMSKFEGFTSISSLERRAAFRYYIFNLVNVFLASVIAGAAFIGVAIPMKATFFITYIMVDGWAGVAGEILMLKPLIMFHLKNAFLVKTDKDREEAMDPGSIGFNTGEPRIQLYFLLGLVYAPVTPMLLPFILVFFALAYIVYRHQIINVYNQEYESAAAFWPDVHGRVIAALVISQLLLMGLLGTAAPFLIALPVLTIGFHHFCKGRYEPAFIRYPLQEAMMKDTLETAREPNLNLKGYLQNAYVHPVFK 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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target FAEKF(K)EA(V)(K)DYFAKF(W)DPAA(E)KL(K)EAV(K)DYFAKLW 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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target FAEKF(K)EA(V)(K)DYFAKF(W)DPAA(E)KL(K)EAV(K)DYFAKLW 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](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target TGLLESQLSRHDQMLSVHDIRLADMDLRFQVLETASYNGVLIWKIRDYKRRKQEAVMGKTLSLYSQPFYTGYFGYKMCARVYLNG(D)GMGKGTHLSLFFVIMRGEYDALLPWPFKQKVTLMLMDQGSSRRHLGDAFKPDPNSSSFKKPTGEMN(I)(A)(S)(G)C(P)VFVAQTVLENGTYIKDDTIFIKVIVDTSDLPD 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target TGLLESQLSRHDQMLSVHDIRLADMDLRFQVLETASYNGVLIWKIRDYKRRKQEAVMGKTLSLYSQPFYTGYFGYKMCARVYLNG(D)GMGKGTHLSLFFVIMRGEYDALLPWPFKQKVTLMLMDQGSSRRHLGDAFKPDPNSSSFKKPTGEMN(I)(A)(S)(G)CPVFVAQTVLENGTYIKDDTIFIKVIVDTSDLPD 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target TGLLESQLSRHDQMLSVHDIRLADMDLRFQVLETASYNGVLIWKIRDYKRRKQEAVMGKTLSLYSQPFYTGYFGYKMCARVYLNG(D)GMGKGTHLSLFFVIMRGEYDALLPWPFKQKVTLMLMDQGSSRRHLGDAFKPDPNSS(S)FKKPTGEMN(I)(A)(S)(G)C(P)VFVAQTVLENGTYIKDDTIFIKVIVDTSDLPD 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCLRIYLNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMN(I)(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCLRIYLNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMN(I)(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCLRIYLNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVT(S)S(S)FQRPVNDMNI(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL 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]1CCCN1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target TYIPMSQRRSWADVKPIMQDDGPNPVVPIMYSEEYKDAMDYFRAIAAKEEKSERALELTEIIVRMNPAH(Y)TVWQYRFSLLTSLNKSLEDELRLMNEFAVQNLKS(Y)(Q)VWHHRLLLLDRISPQDPVSEIEYIHGSLLPDPKNYHTWAYLHWLYSHFSTLGRISEAQWGSELDWCNEMLRVDGRNNSAWGWRWYLRVSRPGAETSSRSLQDELIYILKSIHLIPHNVSAWNYLRGFLKHFSLPLVPILPAILPYTAFGFPMPSDPLPEDTPLPVPLALEYLADSFIEQNRVDDAAKVFEKLSSEYDQMRAGYWEFRRRECA 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 |