HOME LIGAND hPROTEOME OTHERS DOCUMENT

P00734 | THRB_HUMAN | Prothrombin (F2)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Thrombin_light_1,Trypsin ]

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[ Domain: "FMN-binding split barrel 2" // Trypsin ]

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[ Domain: "FMN-binding split barrel" // Thrombin_light ]

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[ Domain: "FMN-binding split barrel" // Thrombin_light_1,Trypsin ]

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[ Domain: "FMN-binding split barrel" // Thrombin_light,Trypsin ]

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[ Domain: "FMN-binding split barrel" // Thrombin_light_1 ]

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[ Domain: "Kringle-like" // Kringle ]

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[ Domain: "GLA-domain" // Gla_like ]

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[ Domain: "GLA-domain" // Gla_like,Gla ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL382542 OBDepict N + N _ O N H NH O F F N Cl NH 2 Ki = 0.001 nM 486.91 N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1CN Homo sapiens CHEMBL829646 cell-free format
CHEMBL103461 OBDepict Cl N NH N N N O N Cl O N N H F F + N _ O Ki = 0.0014 nM 552.33 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL320172 OBDepict Cl N NH N N N O N Cl O N N H F F N Ki = 0.0015 nM 536.33 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL275366 OBDepict HO O HN H O H N N O NH 2 H 2 N H 2 N H IC50 = 0.0017 nM 418.5 NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O Homo sapiens CHEMBL816070 single protein format
CHEMBL196030 OBDepict N + N _ O N H NH O F F N N Cl N N N Ki = 0.002 nM 525.91 N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL829646 cell-free format
CHEMBL331771 OBDepict O NH H N O NH H S O O H 2 N HN H 2 N Ki = 0.003 nM 548.67 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL269575 OBDepict O N H H N O N H H S O O CH 3 HN H 2 N Ki = 0.003 nM 547.68 CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL419773 OBDepict H 2 N NH Cl O N Cl O N NH F F + N _ O Ki = 0.0034 nM 513.33 NCc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O Homo sapiens CHEMBL814972 single protein format
CHEMBL331742 OBDepict O N H H N O S N H H S O O NH 2 NH NH 2 Ki = 0.004 nM 554.7 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)s1 Homo sapiens CHEMBL813669 single protein format
CHEMBL2028993 OBDepict O HN O H H 3 C CH 3 H 3 C N O H NH O B HO HO N H 2 N NH 2 Ki = 0.004 nM 518.42 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)B(O)O Homo sapiens CHEMBL811972 single protein format
CHEMBL7895 OBDepict O N H H N O S N H H S O O CH 3 NH H 2 N Ki = 0.005 nM 553.71 CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)s1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL813569 single protein format
CHEMBL331847 OBDepict O NH H N O NH H S F O O H 2 N HN H 2 N Ki = 0.008 nM 566.66 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cc1F Homo sapiens CHEMBL813669 single protein format
CHEMBL105819 OBDepict O NH H N O N CH 3 H H 2 N NH 2 HN O OH H 3 C + N CH 3 H O _ O IC50 = 0.008 nM 555.64 CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N Homo sapiens CHEMBL815795 single protein format
CHEMBL196702 OBDepict NH 2 N H HO + N _ O N NH F F N Ki < 0.01 nM 454.48 N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(O)NCc1ccccc1CN Homo sapiens CHEMBL829646 cell-free format
CHEMBL121212 OBDepict O NH H N O NH H F S O O H 2 N HN H 2 N Ki = 0.01 nM 566.66 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c(F)c1 Homo sapiens CHEMBL813669 single protein format
CHEMBL120079 OBDepict OH O NH H N O H HN O S NH NH 2 Ki = 0.01 nM 547.68 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCCC(=O)O)C(c2ccccc2)c2ccccc2)s1 Homo sapiens CHEMBL813669 single protein format
CHEMBL197418 OBDepict H 2 N NH Cl O + N Cl _ O NH F F N Ki < 0.01 nM 496.35 NCc1ccc(Cl)cc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-] Homo sapiens CHEMBL829646 cell-free format
CHEMBL104951 OBDepict Cl N HN N N O N Cl O N N H F F N Ki < 0.01 nM 535.34 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL327265 OBDepict Cl N HN N N O N Cl O N N H F F + N _ O Ki < 0.01 nM 551.34 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cncn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL4108739 OBDepict OH CH 3 O N H H 3 C O O N H 3 C O N H H F Cl IC50 = 0.01 nM 505.97 COc1cc(C(=O)N2CC(C)(CCO)OC[C@H]2C)cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL330949 OBDepict HO O N H H N O H N H O HN H 2 N Ki = 0.013 nM 527.63 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL323583 OBDepict Cl N NH N N N O N O N N H F F + N _ O Ki = 0.013 nM 517.88 O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL1682691 OBDepict O N H N CH 3 O N NH O Cl NH O N Ki = 0.015 nM 525.01 Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1 Homo sapiens CHEMBL1685160 single protein format
CHEMBL420540 OBDepict OH O HN H N O H NH O S NH H 2 N Ki = 0.015 nM 533.65 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1 Homo sapiens CHEMBL813669 single protein format
CHEMBL124300 OBDepict O NH H N O NH H N S O O H 2 N HN H 2 N Ki = 0.015 nM 549.66 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)cn1 Homo sapiens CHEMBL813669 single protein format
CHEMBL119877 OBDepict CH 3 O HN O H N O H N H O S HN H 2 N Ki = 0.015 nM 533.65 COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)s1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL331571 OBDepict CH 3 O NH O H N O H N H O N NH NH 2 Ki = 0.017 nM 528.61 COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)nc1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL103874 OBDepict Cl N N H N N N O N CH 3 O N H S O O Ki = 0.018 nM 527.99 Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL353760 OBDepict CH 3 HN H N O H HN O H O N S N NH 2 NH 2 Ki = 0.018 nM 555.75 CN[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL812829 single protein format
CHEMBL7860 OBDepict O NH H N O HN H S O O CH 3 NH H 2 N Ki = 0.02 nM 477.63 CS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 Homo sapiens CHEMBL813569 single protein format
CHEMBL122410 OBDepict O N H H N O S N H H S O O NH 2 NH NH 2 Ki = 0.02 nM 554.7 N=C(N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)c1 Homo sapiens CHEMBL813669 single protein format
CHEMBL92615 OBDepict H 3 C N H HN N O O N Cl O N H Cl Ki = 0.02 nM 558.51 CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1 Homo sapiens CHEMBL817243 single protein format
CHEMBL2419745 OBDepict OH O HN H N O H NH O S NH H 2 N Ki = 0.02 nM 533.65 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)s1 Homo sapiens CHEMBL2424101 single protein format
CHEMBL120308 OBDepict O N H H N O NH H O S O O H 2 N NH H 2 N Ki = 0.02 nM 538.63 N=C(N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)co1 Homo sapiens CHEMBL813669 single protein format
CHEMBL36012 OBDepict CH 3 O O N S O N O N N H O Br H H NH 2 Ki = 0.023 nM 580.5 COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2n(c1=O)C(C(=O)NC[C@H]1CC[C@H](N)CC1)C=CC2 Homo sapiens CHEMBL817240 single protein format
CHEMBL120187 OBDepict CH 3 O NH O H N O H N H O NH NH 2 Ki = 0.03 nM 527.63 COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL813669 single protein format
CHEMBL273196 OBDepict O NH H O H N N O NH 2 H 2 N N H H CH 3 IC50 = 0.03 nM 416.53 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N Homo sapiens CHEMBL815795 single protein format
CHEMBL103342 OBDepict Cl N HN N N N O N O N N H F F N Ki = 0.033 nM 501.89 O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL1159694 OBDepict O N H H N O H 2 N H HN H 2 N OH O F F F Ki = 0.036 nM 583.61 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cc1.O=C(O)C(F)(F)F Homo sapiens CHEMBL813569 single protein format
CHEMBL426101 OBDepict Cl N N O N N HN N N H Ki = 0.04 nM 437.94 Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1 Homo sapiens CHEMBL884569 single protein format
CHEMBL195366 OBDepict H 2 N NH Cl O + N _ O NH F F N Ki = 0.04 nM 461.9 NCc1ccc(Cl)cc1CNC(=O)Cc1cccc(NCC(F)(F)c2ccccn2)[n+]1[O-] Homo sapiens CHEMBL829646 cell-free format
CHEMBL296737 OBDepict CH 3 N H O O N H Cl O N CH 3 O N H S O O Ki = 0.04 nM 561.06 CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O Homo sapiens CHEMBL811966 cell-free format
CHEMBL198820 OBDepict Cl N N N O N N H N CH 3 F F N Ki = 0.04 nM 481.89 Cc1cc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc2c(NCC(F)(F)c2ccccn2)n1 Homo sapiens CHEMBL884569 single protein format
CHEMBL607008 OBDepict CH 3 NH O H N O H HN O B H HO OH N H 2 N NH 2 ClH Ki = 0.04 nM 496.81 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O.Cl Homo sapiens CHEMBL812833 single protein format
CHEMBL290376 OBDepict CH 3 NH O H N O H HN O B H HO OH N H 2 N NH 2 Ki = 0.041 nM 460.34 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O Homo sapiens CHEMBL811972 single protein format
CHEMBL143418 OBDepict O N H N H 3 C O N N H CH 3 N H 2 N F F N Ki = 0.042 nM 443.46 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O Homo sapiens CHEMBL816574 single protein format
CHEMBL143418 OBDepict O N H N H 3 C O N N H CH 3 N H 2 N F F N IC50 = 0.042 nM 443.46 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccn2)c1=O Homo sapiens CHEMBL3134872 single protein format
CHEMBL1202108 OBDepict OH O F F F CH 3 NH O H N O H HN O B HO OH N NH 2 NH 2 Ki = 0.045 nM 574.37 CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(CCCN=C(N)N)B(O)O.O=C(O)C(F)(F)F Homo sapiens CHEMBL813634 single protein format
CHEMBL9582 OBDepict NH 2 HN H 2 N HN H N O S CH 3 O O Ki = 0.045 nM 513.71 CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1 Homo sapiens CHEMBL812840 single protein format
CHEMBL420682 OBDepict NH 2 N H Cl O N CH 3 O N H S O O Ki = 0.046 nM 489.0 Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN Homo sapiens CHEMBL814972 single protein format
CHEMBL96354 OBDepict Cl O N H O O N Cl O N H N HN H Ki = 0.05 nM 546.46 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCOCCOc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL817243 single protein format
CHEMBL102500 OBDepict O NH N Cl O N N H N N N N F F + N _ O Ki = 0.05 nM 517.88 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL418965 OBDepict Cl O N H O N Cl O N H N HN H Ki = 0.05 nM 544.48 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL817243 single protein format
CHEMBL196035 OBDepict O NH + N Cl _ O N H N Cl N N F F N Ki = 0.05 nM 534.35 O=C(Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])NCc1cc(Cl)ccc1-n1cncn1 Homo sapiens CHEMBL829646 cell-free format
CHEMBL268640 OBDepict O NH H N O HN H S O O CH 3 NH H 2 N Cl Cl Ki = 0.05 nM 540.47 CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 Homo sapiens CHEMBL813569 single protein format
CHEMBL116202 OBDepict H 2 N N H Cl O N CH 3 O N H S O O Ki = 0.05 nM 503.02 Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN Homo sapiens CHEMBL814972 single protein format
CHEMBL1229262 OBDepict H 2 N N H Cl O H N O HN H S O O Ki = 0.052 nM 575.18 NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NS(=O)(=O)Cc1ccccc1 Homo sapiens CHEMBL2155775 single protein format
CHEMBL289395 OBDepict NH 2 N H O H N O NH 2 H Ki = 0.056 nM 460.71 NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)CC1 Homo sapiens CHEMBL811976 single protein format
CHEMBL94952 OBDepict O O HN H HN O N O N Cl NH O Cl Ki = 0.06 nM 572.45 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=CCOc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL817243 single protein format
CHEMBL102385 OBDepict NH 2 HN NH B NH OH HO O N O Ki = 0.06 nM 493.42 N=C(N)NCCCC(NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O Homo sapiens CHEMBL812833 single protein format
CHEMBL312244 OBDepict H 2 N NH NH NH H N O S H 3 C O O O CH 3 Ki = 0.06 nM 523.66 COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(=N)NN)cc3)C(=O)N(C)C3CCCC3)ccc2c1 Homo sapiens CHEMBL813621 single protein format
CHEMBL198735 OBDepict Cl N N O N N N N H F F NH Ki = 0.06 nM 473.92 FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)C1CCCCN1 Homo sapiens CHEMBL884569 single protein format
CHEMBL105137 OBDepict O N H N B O OH HO CH 3 CH 3 N NH 2 H 2 N Ki = 0.06 nM 495.43 CC(C)(CN(CC(=O)NC(CCCN=C(N)N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL812833 single protein format
CHEMBL4457051 OBDepict NH 2 N H Cl O H N O NH 2 H Ki = 0.07 nM 420.99 NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1 Homo sapiens CHEMBL4323641 single protein format
CHEMBL431524 OBDepict CH 3 HN O O N H Cl O N CH 3 O N N H Ki = 0.07 nM 512.01 CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Homo sapiens CHEMBL811966 cell-free format
CHEMBL372194 OBDepict H 3 C O O N NH N N O N Cl N N Ki = 0.07 nM 524.03 CCOC(=O)CN1CCCCC1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12 Homo sapiens CHEMBL884569 single protein format
CHEMBL284549 OBDepict NH 2 NH HN NH H O N H O O H N N O NH 2 Ki = 0.071 nM 576.7 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1 Homo sapiens CHEMBL812832 single protein format
CHEMBL28817 OBDepict NH 2 NH HN NH H O N H O O H N N NH 2 Ki = 0.071 nM 562.72 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 Homo sapiens CHEMBL813617 single protein format
CHEMBL28365 OBDepict NH 2 N H HN NH H O N H O O H N N NH 2 Ki = 0.073 nM 548.69 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 Homo sapiens CHEMBL813617 single protein format
CHEMBL195960 OBDepict N + N _ O N H HN OH F F N Cl Ki = 0.08 nM 459.88 N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(O)NCc1cccc(Cl)c1 Homo sapiens CHEMBL829646 cell-free format
CHEMBL197668 OBDepict Cl N N N O N N H F F N Ki = 0.08 nM 466.88 FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)c1ccccn1 Homo sapiens CHEMBL884569 single protein format
CHEMBL274152 OBDepict H O N H CH 3 N O NH O CH 3 N H 2 N Ki = 0.084 nM 423.52 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CCC1)C2 Homo sapiens CHEMBL815493 single protein format
CHEMBL102122 OBDepict Cl N N H N N O N O N N H F F + N _ O Ki = 0.085 nM 516.9 O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cncn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL281982 OBDepict O N H N Cl O N N H Cl Cl F F + N _ O Ki = 0.087 nM 518.74 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1Cl Homo sapiens CHEMBL879191 single protein format
CHEMBL2204324 OBDepict Cl O NH O N H N Cl O N HN HN H Ki = 0.09 nM 559.5 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCOc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL2208602 single protein format
CHEMBL1289648 OBDepict Cl N H N H O N Cl O N H N HN H Ki = 0.09 nM 543.5 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccc(Cl)cc2CN1 Homo sapiens CHEMBL1290974 single protein format
CHEMBL2062141 OBDepict H 3 C NH O O N H H H O H N H NH 2 O HN H CH 3 Ki = 0.09 nM 471.6 CNC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)[C@H]1CC[C@H](N)CC1 Homo sapiens CHEMBL814945 single protein format
CHEMBL3084828 OBDepict O N H O OH H O H N H NH 2 O H N S O O Ki = 0.09 nM 520.61 N[C@H]1CC[C@H](C(NC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)C(=O)C(=O)O)CC1 Homo sapiens CHEMBL644680 single protein format
CHEMBL327421 OBDepict O HN N Cl O N NH N H H N H Ki = 0.09 nM 509.05 O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCNCCc2ccccc2CN1 Homo sapiens CHEMBL817243 single protein format
CHEMBL103738 OBDepict O NH N Cl O N N H N N N N F F N Ki = 0.096 nM 501.89 O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1 Homo sapiens CHEMBL813626 single protein format
CHEMBL4111930 OBDepict F N H O N Cl O CH 3 N O H CH 3 H 3 C O HO H 3 C IC50 = 0.1 nM 520.0 COc1cc(C(=O)N2CC(C)(CC(C)O)OC[C@H]2C)cc2nc(NC(CF)c3cccc(Cl)c3)oc12 Homo sapiens CHEMBL3889250 single protein format
CHEMBL3349684 OBDepict O N H H N O H NH 2 H H H 2 N IC50 = 0.1 nM 448.61 N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL808337 single protein format
CHEMBL19831 OBDepict CH 3 O O S F N H O O O N H 3 C NH O H O OH N NH 2 H 2 N Ki = 0.1 nM 568.58 COC(=O)c1ccc(F)cc1CS(=O)(=O)Nc1ccc(C)n(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)c1=O Homo sapiens CHEMBL811969 single protein format
CHEMBL19666 OBDepict O N H N CH 3 O S N H S O O NH H 2 N Ki = 0.1 nM 473.58 Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1 Homo sapiens CHEMBL811969 single protein format
CHEMBL267676 OBDepict NH 2 HN H 2 N HN H N O S CH 3 O O Ki = 0.1 nM 545.71 CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1 Homo sapiens CHEMBL812840 single protein format
CHEMBL142546 OBDepict O N H N H 3 C O N N H CH 3 N H 2 N F F Ki = 0.1 nM 442.47 Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O Homo sapiens CHEMBL816574 single protein format
CHEMBL288071 OBDepict H 2 N N H O H N O N H H O O CH 3 CH 3 H 3 C Ki = 0.1 nM 560.82 CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1)C(C1CCCCC1)C1CCCCC1 Homo sapiens CHEMBL811976 single protein format
CHEMBL3084831 OBDepict H 3 C O O O HN H O H N H H 2 N O H N S O O IC50 = 0.1 nM 576.72 CCCCOC(=O)C(=O)C(NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3)CC(=O)N21)[C@H]1CC[C@H](N)CC1 Homo sapiens CHEMBL644679 single protein format
CHEMBL332819 OBDepict OH O HN H N O H NH O S HN H 2 N Ki = 0.1 nM 533.65 N=C(N)c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NCC(=O)O)C(c2ccccc2)c2ccccc2)cs1 Homo sapiens CHEMBL813669 single protein format
CHEMBL416795 OBDepict NH 2 N H O H N O NH 2 H Ki = 0.1 nM 448.61 NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)CC1 Homo sapiens CHEMBL811976 single protein format
CHEMBL82057 OBDepict NH 2 HN HN HN H N O S CH 3 O O Ki = 0.1 nM 497.67 CN(C(=O)[C@H](Cc1ccc(C(=N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1 Homo sapiens CHEMBL813621 single protein format
CHEMBL3349684 OBDepict O N H H N O H NH 2 H H H 2 N Ki = 0.1 nM 448.61 N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL814953 single protein format
CHEMBL4476621 OBDepict S HN N H N H O Cl Cl HO IC50 = 0.103 nM 356.23 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O Homo sapiens CHEMBL4383330 single protein format
CHEMBL1229261 OBDepict H 2 N HN N H O H N O HN H S O O Ki = 0.119 nM 553.73 N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL2155775 single protein format
CHEMBL47920 OBDepict Cl S HN O O O N CH 3 NH O H 3 C N NH 2 Ki = 0.12 nM 489.99 Cc1nc(N)ccc1CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL813655 single protein format
CHEMBL121694 OBDepict O N H H N O S N N H H S O O NH 2 NH NH 2 Ki = 0.12 nM 555.69 N=C(N)c1csc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(N)(=O)=O)C(c2ccccc2)c2ccccc2)n1 Homo sapiens CHEMBL813669 single protein format
CHEMBL277695 OBDepict O N H N CH 3 O S N NH NH H 2 N Ki = 0.12 nM 424.53 Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(=N)N)s1 Homo sapiens CHEMBL811969 single protein format
CHEMBL9463 OBDepict NH 2 HN H 2 N HN H N O S CH 3 O O Ki = 0.12 nM 499.68 CN(C(=O)[C@H](Cc1ccc(C(N)NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1 Homo sapiens CHEMBL812840 single protein format
CHEMBL176000 OBDepict CH 3 N H H N O H N H O F O N S N H 2 N NH 2 Ki = 0.12 nM 567.69 CN[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL838818 single protein format
CHEMBL1682692 OBDepict O N H N CH 3 O N N H O Cl HN O N N H Ki = 0.125 nM 568.08 Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CCCNC1 Homo sapiens CHEMBL1685160 single protein format