HOME LIGAND hPROTEOME OTHERS DOCUMENT

P08253 | MMP2_HUMAN | 72 kDa type IV collagenase (MMP2)

3D structures mapped by conservation among orthologs

[ Domain: "PGBD-like" // PG_binding_1 ]

download pymol session

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M10 ]

download pymol session

[ Domain: "Kringle-like" // fn2 ]

download pymol session

[ Domain: "4-bladed" // Hemopexin ]

download pymol session

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

download pymol session



[ 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
CHEMBL266294 OBDepict CH 3 H O HO H NH O H CH 3 H 3 C CH 3 NH O H 3 C S O O H 2 N Ki = 0.0 nM 573.76 CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O Homo sapiens CHEMBL718930 single protein format
CHEMBL421882 OBDepict Br S HN O O O OH CH 3 CH 3 IC50 = 0.004 nM 412.31 CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O Homo sapiens CHEMBL2339488 single protein format
CHEMBL92828 OBDepict HO NH O H N H O H HN O Cl O O CH 3 Ki = 0.01 nM 524.06 COC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL710553 single protein format
CHEMBL93395 OBDepict HO NH O H N H O H HN O Cl O HO Ki = 0.01 nM 510.03 O=C(O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL710553 single protein format
CHEMBL328092 OBDepict OH HN O H N H O H NH O N CH 3 O Ki = 0.01 nM 530.71 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCN2CCOCC2)cc1 Homo sapiens CHEMBL710553 single protein format
CHEMBL308533 OBDepict HO NH O H N H O H HN O Cl HN O O O CH 3 Ki = 0.01 nM 595.14 COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL76158 OBDepict HO NH O H N H O H N H O Cl N H O O OH Ki = 0.01 nM 581.11 O=C(O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL94114 OBDepict OH NH O H N H O H HN O H 3 C N O Ki = 0.02 nM 558.76 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN2CCOCC2)cc1 Homo sapiens CHEMBL710553 single protein format
CHEMBL93791 OBDepict HO NH O H N H O H HN O H 3 C N H 3 C CH 3 Ki = 0.02 nM 516.73 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCCN(C)C)cc1 Homo sapiens CHEMBL710553 single protein format
CHEMBL93235 OBDepict OH HN O H NH O H N H O Cl N O O Ki = 0.02 nM 579.14 O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N1CCOCC1)NO Homo sapiens CHEMBL710553 single protein format
CHEMBL77057 OBDepict HO N H O H N H O H HN O CH 3 HN O N H 3 C CH 3 Ki = 0.02 nM 587.81 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCCCN(C)C)cc1 Homo sapiens CHEMBL718926 single protein format
CHEMBL311397 OBDepict OH HN O H NH O H N H O Cl Ki = 0.03 nM 542.12 O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL93695 OBDepict OH HN O H NH O H N H O Cl N O Ki = 0.03 nM 579.18 O=C(C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCCCN1CCOCC1)NO Homo sapiens CHEMBL710553 single protein format
CHEMBL330028 OBDepict CH 3 CH 3 HN O HO S O O IC50 = 0.04 nM 333.41 CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O Homo sapiens CHEMBL2339488 single protein format
CHEMBL198778 OBDepict OH HN O NH S O O O IC50 = 0.04 nM 322.34 O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO Homo sapiens CHEMBL2345603 single protein format
CHEMBL4746390 OBDepict OH N H O H N S O O N H O N H O O Ki = 0.044 nM 538.58 O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)NO)cc2)cc1)OCc1ccccc1 Homo sapiens CHEMBL4737893 single protein format
CHEMBL4522121 OBDepict OH N H O H S O O N H O HN O O IC50 = 0.048 nM 551.62 O=C(NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCC[C@@H]3C(=O)NO)cc2)cc1)OCc1ccccc1 Homo sapiens CHEMBL4393185 single protein format
CHEMBL318484 OBDepict OH N H O H N S CH 3 CH 3 S O O O N IC50 = 0.048 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3cccnc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL714218 single protein format
CHEMBL327472 OBDepict HO N H O H N H O H HN O Cl N CH 3 H 3 C Ki = 0.05 nM 537.15 CN(C)CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Homo sapiens CHEMBL710553 single protein format
CHEMBL310037 OBDepict OH NH O H N H O H HN O O H 3 C Ki = 0.06 nM 537.7 COc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 Homo sapiens CHEMBL718926 single protein format
CHEMBL308511 OBDepict OH HN O H NH O H N H O F Ki = 0.06 nM 525.67 O=C(C[C@@H](CCCc1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL126461 OBDepict OH HN O S N N N O Cl IC50 = 0.06 nM 480.98 O=C(NO)C(CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL714993 single protein format
CHEMBL75403 OBDepict OH NH O H N H O H HN O Ki = 0.062 nM 507.68 O=C(C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL312076 OBDepict OH HN O H N H O H NH O CH 3 Ki = 0.08 nM 521.7 Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 Homo sapiens CHEMBL718926 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N Ki = 0.08 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL715003 single protein format
CHEMBL4797032 OBDepict OH N H O H N S O O N H O + N O _ O Ki = 0.087 nM 434.43 O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4737893 single protein format
CHEMBL179288 OBDepict HO NH O N H S O H 3 C CH 3 O O H 3 C CH 3 IC50 = 0.09 nM 406.5 CC(C)ON([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL829405 single protein format
CHEMBL4535400 OBDepict OH N H O H S O O N H O + N O _ O IC50 = 0.096 nM 433.44 O=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4393185 single protein format
CHEMBL311141 OBDepict O N OH S S O O O O F F F N O O H 3 C CH 3 IC50 = 0.098 nM 526.51 CN(C)S(=O)(=O)CC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O Homo sapiens CHEMBL718937 single protein format
CHEMBL1801429 OBDepict HO NH O S O O O O F F F NH IC50 < 0.1 nM 460.43 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801052 OBDepict HO NH O S O O O O F F F O IC50 < 0.1 nM 461.41 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1229868 OBDepict HO NH O S O O O F F F O IC50 = 0.1 nM 445.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801049 OBDepict OH HN O S O O O O H 3 C CH 3 O IC50 < 0.1 nM 435.5 CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801046 OBDepict HO NH O S O O O Cl O IC50 < 0.1 nM 411.86 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1233506 OBDepict H 3 C N H O S N O O H N H O CH 3 CH 3 N OH O IC50 < 0.1 nM 574.74 CCCCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)cc1 Homo sapiens CHEMBL1960475 single protein format
CHEMBL1801053 OBDepict OH HN O S O O O S H 3 C O IC50 < 0.1 nM 423.51 CSc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801430 OBDepict OH NH O S O O O O F F F N IC50 < 0.1 nM 500.5 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801395 OBDepict HO N S NH O O O O O F F F OH IC50 < 0.1 nM 504.48 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(CCO)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801394 OBDepict H 3 C O N S NH O O O O O F F F OH IC50 < 0.1 nM 532.54 CCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801397 OBDepict CH N S N H O O O O O F F F OH IC50 < 0.1 nM 498.48 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL415074 OBDepict OH NH O H N H O H HN O H 3 C Ki = 0.1 nM 535.73 CCc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 Homo sapiens CHEMBL718926 single protein format
CHEMBL1801398 OBDepict HO NH O S O O O O F F F N CH 3 IC50 < 0.1 nM 474.46 CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801399 OBDepict HO NH O S O O O O F F F N CH 3 CH 3 IC50 < 0.1 nM 502.51 CC(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1771212 OBDepict HO NH O S O O O O F F F N O CH 3 IC50 < 0.1 nM 518.51 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1771909 single protein format
CHEMBL418291 OBDepict CH 3 H O N H H NH O H HO N H O H 3 C O IC50 = 0.1 nM 509.65 CCCc1ccc(CC[C@H]2C(=O)N[C@H](C(=O)NC)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL874165 single protein format
CHEMBL1801396 OBDepict HO NH O S O O O O F F F N O CH 3 IC50 = 0.1 nM 502.47 CC(=O)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL2064549 OBDepict F O O O N N N N S O O O CH 3 H NH O H 3 C CH 3 HO IC50 = 0.1 nM 561.63 COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066885 single protein format
CHEMBL1801412 OBDepict H 3 C O O S O O NH O N OH IC50 = 0.1 nM 460.55 CCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801413 OBDepict HO NH O S O O O CH 3 H 3 C N CH IC50 = 0.1 nM 456.56 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(C)C)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801414 OBDepict CH 3 O N S N H O O O O CH 3 H 3 C OH IC50 = 0.1 nM 476.6 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(C)C)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801417 OBDepict HO N H O S O O O O H 3 C CH 3 N IC50 = 0.1 nM 474.58 CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801393 OBDepict HO NH O S O O O O F F F N N IC50 < 0.1 nM 551.54 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2cccnc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801050 OBDepict HO NH O S O O O O IC50 = 0.1 nM 453.52 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801424 OBDepict HO N H O S O O O F F F N IC50 = 0.1 nM 484.5 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801044 OBDepict HO NH O S O O O O IC50 = 0.1 nM 377.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL317132 OBDepict OH HN O O N N N O Cl IC50 = 0.1 nM 464.91 O=C(NO)C(CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL715838 single protein format
CHEMBL19611 OBDepict OH HN O H N H O CH 3 CH 3 H NH O H 3 C N H IC50 = 0.104 nM 388.47 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL715843 single protein format
CHEMBL2064547 OBDepict F N N N N S O O O CH 3 H HN O CH 3 H 3 C OH IC50 = 0.13 nM 429.47 COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066885 single protein format
CHEMBL3617404 OBDepict HO N H O N H S O O O O CH 3 N H CH 3 H 3 C O H 3 C IC50 = 0.13 nM 479.56 COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCNC(C)=O)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL3619995 single protein format
CHEMBL59338 OBDepict H 3 C H N H O N H O H OH H 3 C H 3 C CH 3 N H O H 3 C IC50 < 0.15 nM 385.55 CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C Homo sapiens CHEMBL687538 single protein format
CHEMBL3900422 OBDepict OH N H O N H S H 3 C CH 3 O O HN O IC50 = 0.16 nM 495.6 CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3879734 cell-based format
CHEMBL4461597 OBDepict OH N H O H S O O Cl Cl IC50 = 0.16 nM 414.31 O=C(NO)[C@H]1CCCC1S(=O)(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 Homo sapiens CHEMBL4393185 single protein format
CHEMBL3792916 OBDepict CH 3 HN O N H H O H N H N H O CH 3 H 3 C NH 2 IC50 = 0.19 nM 463.58 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)Nc1ccccc1N)CC(C)C Homo sapiens CHEMBL3796469 single protein format
CHEMBL281795 OBDepict OH N H O H NH O CH 3 H 3 C H O NH N Ki = 0.2 nM 456.59 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O Homo sapiens CHEMBL710555 single protein format
CHEMBL94248 OBDepict HO N H O N H CH 3 S O O O CH IC50 = 0.2 nM 388.45 C#CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Homo sapiens CHEMBL715839 single protein format
CHEMBL1801428 OBDepict HO NH O S O O O S F F F N O CH 3 IC50 = 0.2 nM 534.58 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL93231 OBDepict OH HN O NH 2 S O O O IC50 = 0.2 nM 412.47 NC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)c1ccccc1 Homo sapiens CHEMBL715839 single protein format
CHEMBL2064552 OBDepict OH N H O N H S CH 3 H 3 C O O O H 3 C N N N H O H F H H OH OH H OH IC50 = 0.2 nM 547.56 COc1ccc(S(=O)(=O)N(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066885 single protein format
CHEMBL1801427 OBDepict CH 3 N S NH O O O O F F F OH IC50 = 0.2 nM 472.49 CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL92899 OBDepict CH N S N H O O O O HO IC50 = 0.2 nM 414.48 C#CCN1CCCC1(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Homo sapiens CHEMBL715839 single protein format
CHEMBL1801431 OBDepict HO NH O S O O O O F F F N N IC50 = 0.2 nM 551.54 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801048 OBDepict HO NH O S O O O HO O IC50 = 0.2 nM 393.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(O)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL150655 OBDepict OH N H O H N S N O O O H 3 C OH IC50 = 0.2 nM 329.33 COc1ccc(S(=O)(=O)N2C/C(=NO)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL716610 single protein format
CHEMBL91124 OBDepict HO N H O N H CH 3 S O O O IC50 = 0.2 nM 440.52 CC(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCc1ccccc1)C(=O)NO Homo sapiens CHEMBL715839 single protein format
CHEMBL466059 OBDepict CH 3 O S S NH O O H O HO N O O H 3 C CH 3 IC50 = 0.2 nM 510.63 CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCN(C(=O)OC(C)C)CC3)s2)cc1 Homo sapiens CHEMBL974348 single protein format
CHEMBL347595 OBDepict OH NH O H N H O H CH 3 CH 3 CH 3 N H O N IC50 = 0.2 nM 440.54 CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1 Homo sapiens CHEMBL873934 single protein format
CHEMBL3827831 OBDepict OH HN O N H O H 3 C H 3 C CH 3 HN O N IC50 = 0.2 nM 440.54 CC(C)(C)C(NC(=O)C(CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1 Homo sapiens CHEMBL3830608 single protein format
CHEMBL343911 OBDepict OH HN O H N S H N H O O O CH 3 O O H IC50 = 0.2 nM 553.64 COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](Cc3ccccc3)OCc3ccccc3)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL715829 single protein format
CHEMBL1801420 OBDepict HC N S N H O O O O O O HO IC50 = 0.2 nM 458.49 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL150077 OBDepict CH 3 O S N O O H N NH O OH HO IC50 = 0.2 nM 371.42 CCCCOc1ccc(S(=O)(=O)N2C/C(=NO)C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL716610 single protein format
CHEMBL1801423 OBDepict OH NH O S O O O O O N IC50 = 0.2 nM 474.54 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCCO4)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL1801057 OBDepict OH HN O S O O O O H 3 C N N IC50 = 0.2 nM 497.57 COc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccccn4)CC3)cc2)cc1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL71482 OBDepict H 3 C H N H O HN O H OH N H O CH 3 N H Ki = 0.21 nM 416.52 CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Homo sapiens CHEMBL718929 single protein format
CHEMBL440498 OBDepict HO NH O S O O O O Cl Ki = 0.22 nM 425.89 O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL718311 single protein format
CHEMBL180275 OBDepict O N H HN O O N O O O HO Ki = 0.23 nM 409.35 O=C1NC(=O)C2(CCC(=O)N2c2ccc(Oc3ccc(C(=O)O)cc3)cc2)C(=O)N1 Homo sapiens CHEMBL827170 single protein format
CHEMBL99103 OBDepict HO NH O H H O N H O H HN O CH 3 IC50 = 0.23 nM 531.65 CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)NO)[C@@H](CCCc2cccc3ccccc23)C(=O)N1 Homo sapiens CHEMBL714218 single protein format
CHEMBL4800470 OBDepict OH N H O H N S O O Ki = 0.25 nM 370.43 O=C(NO)[C@H]1CCCN1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1 Homo sapiens CHEMBL4737893 single protein format
CHEMBL1801421 OBDepict CH 3 O N S N H O O O O O O HO IC50 = 0.25 nM 478.52 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL73803 OBDepict OH HN O H NH O H N H O Ki = 0.254 nM 521.7 O=C(C[C@@H](CCCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL4524116 OBDepict OH HN O HN S H O H O O O F IC50 = 0.26 nM 436.46 O=C(NO)[C@]1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@@H]2CC[C@H](C1)O2 Homo sapiens CHEMBL718941 single protein format
CHEMBL318860 OBDepict OH HN O H H O N H O H NH O H 3 C Cl IC50 = 0.26 nM 516.04 CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)NO)[C@@H](CCCc2ccc(Cl)cc2)C(=O)N1 Homo sapiens CHEMBL714218 single protein format
CHEMBL4444377 OBDepict OH N H O H S O O IC50 = 0.28 nM 369.44 O=C(NO)[C@H]1CCCC1S(=O)(=O)c1ccc(C#Cc2ccccc2)cc1 Homo sapiens CHEMBL4393185 single protein format
CHEMBL76519 OBDepict OH HN O H NH O H N H O F F F Ki = 0.3 nM 575.67 O=C(C[C@@H](CCCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL718926 single protein format
CHEMBL433314 OBDepict HO N H O H H OH N H O H 3 C CH 3 H CH 3 CH 3 H 3 C N H O CH 3 Ki = 0.3 nM 345.44 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CO)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL878219 single protein format
CHEMBL306090 OBDepict HO H H N H O HN O OH H H 3 C H 3 C CH 3 H 3 C N H O H 3 C Ki = 0.3 nM 379.46 CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL878219 single protein format
CHEMBL285418 OBDepict CH 3 HN O HN H O N H H N H O CH 3 H 3 C OH Ki = 0.3 nM 458.6 CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL710559 single protein format
CHEMBL1801426 OBDepict HO NH O S O O O F F F N CH 3 CH 3 IC50 = 0.3 nM 486.51 CC(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806084 single protein format
CHEMBL279078 OBDepict H 3 C NH O N H H O H H 3 C H N H O H 3 C CH 3 OH IC50 = 0.3 nM 417.55 CNC(=O)[C@H](Cc1cccc2c1CCCC2)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Homo sapiens CHEMBL717492 single protein format
CHEMBL150483 OBDepict OH N H O H N S N O O O N O H 3 C IC50 = 0.3 nM 406.42 CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1 Homo sapiens CHEMBL716610 single protein format
CHEMBL1801045 OBDepict HO NH O S O O O Cl O IC50 = 0.3 nM 411.86 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCOCC1 Homo sapiens CHEMBL1806084 single protein format