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P14780 | MMP9_HUMAN | Matrix metalloproteinase-9 (MMP9)

3D structures mapped by conservation among orthologs

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

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

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

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

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

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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
CHEMBL80496 OBDepict OH NH O S H 3 C O O O CH 3 IC50 = 0.0 nM 363.44 COc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL715221 single protein format
CHEMBL323090 OBDepict OH N H O N S O O O CH 3 S N H O IC50 = 0.01 nM 563.74 COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 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 = 0.03 nM 429.47 COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066798 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 = 0.05 nM 561.63 COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066798 single protein format
CHEMBL61193 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 0.06 nM 424.43 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL710813 single protein format
CHEMBL2425941 OBDepict F O S N O O H HN O H 3 C CH 3 N OH IC50 = 0.07 nM 373.41 CC(C)[C@H](C(=O)NO)N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429399 single protein format
CHEMBL2425947 OBDepict F N N N N S O O O H 3 C H HN O CH 3 CH 3 OH IC50 = 0.07 nM 457.53 COc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429399 single protein format
CHEMBL355797 OBDepict H 3 C O P N O NH O OH O Ki = 0.08 nM 452.45 CCOP(=O)(c1ccc(Oc2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL710806 single protein format
CHEMBL75164 OBDepict OH HO H N OH S O O O O O F F F IC50 = 0.092 nM 465.4 O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H](O)CO Homo sapiens CHEMBL715231 single protein format
CHEMBL56837 OBDepict OH N H O H N S H OH O O O H OH H HO Ki = 0.097 nM 424.43 O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL710803 single protein format
CHEMBL1801048 OBDepict HO NH O S O O O HO O IC50 < 0.1 nM 393.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(O)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806088 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 CHEMBL1806088 single protein format
CHEMBL104022 OBDepict OH N H O N S O O O CH 3 S H 3 C H 3 C IC50 < 0.1 nM 466.63 COc1ccc(S(=O)(=O)N(CC(C)C)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 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 CHEMBL1806088 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 CHEMBL1806088 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 CHEMBL1806088 single protein format
CHEMBL1801422 OBDepict OH NH O S O O O O O N IC50 < 0.1 nM 460.51 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL425316 OBDepict H 3 C O P N O NH O OH O H 2 N Ki = 0.1 nM 467.46 CCOP(=O)(c1ccc(Oc2ccc(N)cc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL710806 single protein format
CHEMBL1800089 OBDepict HO NH O S O O O F F F N N O IC50 = 0.1 nM 557.59 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(CCN2CCOCC2)CC1 Homo sapiens CHEMBL1806088 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 CHEMBL1806088 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 CHEMBL1806088 single protein format
CHEMBL4797032 OBDepict OH N H O H N S O O N H O + N O _ O Ki = 0.11 nM 434.43 O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4737894 single protein format
CHEMBL4535400 OBDepict OH N H O H S O O N H O + N O _ O IC50 = 0.122 nM 433.44 O=C(Nc1ccc(S(=O)(=O)C2CCC[C@@H]2C(=O)NO)cc1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4393186 single protein format
CHEMBL417537 OBDepict H 3 C N H O N H H O H H 3 C H O N H O H 3 C CH 3 CH 3 OH Ki = 0.13 nM 393.48 CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Homo sapiens CHEMBL718975 single protein format
CHEMBL16554 OBDepict CH 3 H N H O O H HS CH 3 CH 3 H 3 C N H O CH 3 IC50 = 0.14 nM 372.58 CCCCCCC[C@H](CC(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Homo sapiens CHEMBL712567 single protein format
CHEMBL16519 OBDepict H 3 C H N H O HO H H SH H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.14 nM 374.59 CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Homo sapiens CHEMBL712567 single protein format
CHEMBL1801430 OBDepict OH NH O S O O O O F F F N IC50 = 0.15 nM 500.5 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL1801398 OBDepict HO NH O S O O O O F F F N CH 3 IC50 = 0.18 nM 474.46 CN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL433426 OBDepict H 3 C H NH O NH O H OH NH O H 3 C IC50 = 0.2 nM 405.54 CCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)c1ccccc1 Homo sapiens CHEMBL710584 single protein format
CHEMBL279786 OBDepict CH 3 N H O NH H O H H HN O S H 3 C CH 3 OH S IC50 = 0.2 nM 477.65 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Homo sapiens CHEMBL710584 single protein format
CHEMBL1801052 OBDepict HO NH O S O O O O F F F O IC50 = 0.2 nM 461.41 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL102438 OBDepict OH N H O N S O O O H 3 C S HN O O H 3 C IC50 = 0.2 nM 587.72 COc1ccc(CNC(=O)CN(C(CCSCc2ccccc2)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL102798 OBDepict CH 3 O S N O O N H O N H O HO S IC50 = 0.2 nM 557.69 COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL2425943 OBDepict F O O O N N N N S O O O F H HN O CH 3 H 3 C OH IC50 = 0.2 nM 593.65 CC(C)[C@H](C(=O)NO)N(Cc1cn(CCOCCOCCOCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429399 single protein format
CHEMBL106016 OBDepict CH 3 O S N O O N H O N H O HO S N IC50 = 0.2 nM 558.68 COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL102504 OBDepict OH N H O N S O O O CH 3 S H 3 C H 3 C IC50 = 0.2 nM 546.76 COc1ccc(S(=O)(=O)N(CC(C)C)C(CCSCc2ccc(C3C=CCCC3)cc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL1801412 OBDepict H 3 C O O S O O NH O N OH IC50 = 0.2 nM 460.55 CCOc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL102785 OBDepict OH N H O N S O O O CH 3 S N H O IC50 = 0.2 nM 549.72 COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)C(CCSCc2ccccc2)C(=O)NO)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL296761 OBDepict HO N H O N H S O O O CH 3 S CH 3 H 3 C IC50 = 0.2 nM 542.72 COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccc(-c3ccccc3)cc2)C(=O)NO)cc1 Homo sapiens CHEMBL712040 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N IC50 = 0.2 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL712901 single protein format
CHEMBL47728 OBDepict OH HN O N H S O O S H 3 C CH 3 CH 3 IC50 = 0.2 nM 436.6 CSCC[C@@H](C(=O)NO)N(CC(C)C)S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL712040 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 = 0.2 nM 388.47 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL687536 single protein format
CHEMBL1771212 OBDepict HO NH O S O O O O F F F N O CH 3 IC50 = 0.2 nM 518.51 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1771913 single protein format
CHEMBL1916212 OBDepict H 3 C N N N S O O O Cl H O N HO IC50 = 0.2 nM 535.07 CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 Homo sapiens CHEMBL1918905 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 CHEMBL1806088 single protein format
CHEMBL1916211 OBDepict Cl O S N O O H O N N OH IC50 = 0.21 nM 520.05 O=C1[C@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1O Homo sapiens CHEMBL1918905 single protein format
CHEMBL1801417 OBDepict HO N H O S O O O O H 3 C CH 3 N IC50 = 0.21 nM 474.58 CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C4CC4)CC3)cc2)cc1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL1801429 OBDepict HO NH O S O O O O F F F NH IC50 = 0.22 nM 460.43 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL1916210 OBDepict Cl O S N O O H O N N OH O IC50 = 0.22 nM 522.02 O=C1[C@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1O Homo sapiens CHEMBL1918905 single protein format
CHEMBL1801428 OBDepict HO NH O S O O O S F F F N O CH 3 IC50 = 0.25 nM 534.58 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL1801054 OBDepict HO NH O S O O O S F F F O IC50 = 0.25 nM 477.48 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL307413 OBDepict OH N HO S O O O O O F F F IC50 = 0.26 nM 435.38 O=CN(O)C(CO)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Homo sapiens CHEMBL715231 single protein format
CHEMBL1801421 OBDepict CH 3 O N S N H O O O O O O HO IC50 = 0.27 nM 478.52 COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1 Homo sapiens CHEMBL1806088 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 CHEMBL710584 single protein format
CHEMBL16118 OBDepict CH 3 N H O O HS H H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.3 nM 358.55 CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C Homo sapiens CHEMBL712565 single protein format
CHEMBL1801420 OBDepict HC N S N H O O O O O O HO IC50 = 0.3 nM 458.49 C#CCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL1801046 OBDepict HO NH O S O O O Cl O IC50 = 0.3 nM 411.86 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL2425949 OBDepict HO N H O N H S H 3 C CH 3 O O O CH 3 N N N O F N IC50 = 0.3 nM 564.64 COc1ccc(S(=O)(=O)N(CCn2cc(CCCCOc3cccnc3F)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429399 single protein format
CHEMBL309329 OBDepict HO O N OH S O O O O O F F F IC50 = 0.3 nM 479.43 O=CN(O)C(COCCO)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Homo sapiens CHEMBL715231 single protein format
CHEMBL59023 OBDepict HO NH O H N H O H HN O CH 3 O Ki = 0.31 nM 455.56 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Homo sapiens CHEMBL710810 single protein format
CHEMBL539171 OBDepict H 3 C O P N O HN O OH Ki = 0.31 nM 436.45 CCOP(=O)(c1ccc(-c2ccccc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL710806 single protein format
CHEMBL75114 OBDepict O N OH O S O O O O F F F IC50 = 0.32 nM 475.44 O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCCO1 Homo sapiens CHEMBL715231 single protein format
CHEMBL3221178 OBDepict O N OH H O S O O O O F F F IC50 = 0.32 nM 475.44 O=CN(O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1 Homo sapiens CHEMBL3225488 single protein format
CHEMBL76043 OBDepict O N OH S N O O O F F F O N H H 3 C CH 3 O IC50 = 0.34 nM 529.49 CC1(C)C(=O)NC(=O)N1CC(CS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O Homo sapiens CHEMBL715231 single protein format
CHEMBL2041308 OBDepict O N OH S N O O O F F F O N H O H 3 C H 3 C IC50 = 0.34 nM 529.49 CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O Homo sapiens CHEMBL2044953 single protein format
CHEMBL11306 OBDepict H 3 C NH O N H H O H NH O CH 3 H 3 C HO IC50 = 0.38 nM 349.43 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL1007242 single protein format
CHEMBL1801044 OBDepict HO NH O S O O O O IC50 = 0.4 nM 377.42 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1 Homo sapiens CHEMBL1806088 single protein format
CHEMBL71482 OBDepict H 3 C H N H O HN O H OH N H O CH 3 N H Ki = 0.41 nM 416.52 CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Homo sapiens CHEMBL710820 single protein format
CHEMBL3617407 OBDepict HO N H O N H S O O O O CH 3 N H 3 C CH 3 O O IC50 = 0.43 nM 567.62 COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL3620106 single protein format
CHEMBL400285 OBDepict OH NH O N H N S H CH 3 O H CH 3 O O H 3 C O Cl IC50 = 0.46 nM 498.0 C[C@H]1CN([C@@H](CN(c2ccc(Oc3ccc(Cl)cc3)cc2)S(C)(=O)=O)C(=O)NO)C[C@@H](C)O1 Homo sapiens CHEMBL944754 single protein format
CHEMBL1916054 OBDepict H N H S O N O O O Cl OH N O IC50 = 0.46 nM 508.0 O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=C(CN2CCOCC2)CN1O Homo sapiens CHEMBL1918905 single protein format
CHEMBL2115165 OBDepict O N OH H H O S O O O O O F F F CH 3 CH 3 IC50 = 0.5 nM 505.47 CC1(C)OC[C@H]([C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 Homo sapiens CHEMBL715231 single protein format
CHEMBL126461 OBDepict OH HN O S N N N O Cl IC50 = 0.5 nM 480.98 O=C(NO)C(CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL712901 single protein format
CHEMBL310688 OBDepict OH N H O S O O H 3 C H 3 C H 3 C CH 3 O H 3 C IC50 = 0.5 nM 381.49 COc1ccc(S(=O)(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)NO)cc1 Homo sapiens CHEMBL715221 single protein format
CHEMBL1957606 OBDepict OH N H O H N S S O O O O O Cl IC50 = 0.5 nM 446.89 O=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL1960476 single protein format
CHEMBL235095 OBDepict OH HN O N H S CH 3 H 3 C O O O H 3 C N F IC50 = 0.5 nM 411.46 COc1ccc(S(=O)(=O)N(Cc2ccc(F)nc2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL901570 single protein format
CHEMBL2041307 OBDepict O N OH H O S O O O O O F F F CH 3 CH 3 IC50 = 0.5 nM 505.47 CC1(C)OC[C@H](C(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 Homo sapiens CHEMBL2044953 single protein format
CHEMBL210517 OBDepict OH O S O O H 3 C N O O IC50 = 0.5 nM 487.53 Cc1ccc(C#Cc2ccc(S(=O)(=O)C(CCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1 Homo sapiens CHEMBL870165 single protein format
CHEMBL427616 OBDepict CH 3 O S N O O N S H O O HN O O CH 3 OH IC50 = 0.5 nM 499.57 COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 Homo sapiens CHEMBL714520 single protein format
CHEMBL140152 OBDepict OH N H O H N S CH 3 CH 3 O O O H 3 C IC50 = 0.5 nM 356.44 COc1ccc(S(=O)(=O)N2CCCCC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL710585 single protein format
CHEMBL104599 OBDepict OH N H O N S O O O S CH 3 H 3 C IC50 = 0.5 nM 528.7 CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL712561 single protein format
CHEMBL293528 OBDepict OH NH O N S O O N H N H O S O O CH 3 + N O _ O Ki = 0.5 nM 577.6 Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 Homo sapiens CHEMBL710809 single protein format
CHEMBL234530 OBDepict OH HN O N S O O O HN O S O O NH 2 IC50 = 0.51 nM 562.63 NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL1010051 single protein format
CHEMBL253032 OBDepict OH N H O N H H N S H 3 C CH 3 O O H 3 C O CH 3 IC50 = 0.52 nM 421.52 Cc1ccc(Oc2ccc(N(C[C@H](NC(C)C)C(=O)NO)S(C)(=O)=O)cc2)cc1 Homo sapiens CHEMBL944754 single protein format
CHEMBL254293 OBDepict OH N H O N H H N S O O H 3 C O CH 3 IC50 = 0.52 nM 455.54 Cc1ccc(Oc2ccc(N(C[C@H](Nc3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1 Homo sapiens CHEMBL944754 single protein format
CHEMBL78145 OBDepict O N OH S O O O O F F F O HO IC50 = 0.53 nM 553.51 O=CN(O)C(CCc1ccc(C(=O)O)cc1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Homo sapiens CHEMBL715231 single protein format
CHEMBL3221177 OBDepict O N OH S O O O O F F F O OH IC50 = 0.53 nM 539.48 O=CN(O)C(Cc1ccc(C(=O)O)cc1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3225488 single protein format
CHEMBL68890 OBDepict H 3 C H N H O HN O H OH N H O CH 3 N H Ki = 0.54 nM 388.47 CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Homo sapiens CHEMBL710820 single protein format
CHEMBL432882 OBDepict OH HN O HN H CH 3 H 3 C S O O O IC50 = 0.54 nM 364.42 CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO Homo sapiens CHEMBL712569 single protein format
CHEMBL400785 OBDepict OH NH O N H H N H 3 C H S O O H 3 C O H 3 C IC50 = 0.54 nM 483.59 Cc1ccc(Oc2ccc(N(C[C@H](N[C@@H](C)c3ccccc3)C(=O)NO)S(C)(=O)=O)cc2)cc1 Homo sapiens CHEMBL944754 single protein format
CHEMBL3585769 OBDepict CH 2 N H S N H O O O O H 3 C OH N IC50 = 0.54 nM 391.45 C=CC[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 Homo sapiens CHEMBL3588574 single protein format
CHEMBL227824 OBDepict H 3 C O S NH O O P H O OH HO CH 3 H 3 C IC50 = 0.56 nM 413.43 CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL918801 cell-based format
CHEMBL4854379 OBDepict CH 3 NH O NH O S H 3 C CH 3 HS IC50 = 0.57 nM 408.63 CNC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)SC1CCCC1S Homo sapiens CHEMBL4826790 single protein format
CHEMBL440498 OBDepict HO NH O S O O O O Cl Ki = 0.58 nM 425.89 O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL710808 single protein format
CHEMBL70430 OBDepict OH N H O H NH O H 3 C CH 3 H N H O N O Ki = 0.58 nM 512.65 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL710820 single protein format
CHEMBL1916050 OBDepict Cl O S HN O O H O N OH IC50 = 0.58 nM 408.86 O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1O Homo sapiens CHEMBL1918905 single protein format
CHEMBL123775 OBDepict OH N H O N CH 3 S O O F F F F F + N O _ O Ki = 0.6 nM 469.34 CC(C(=O)NO)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL710807 single protein format
CHEMBL293503 OBDepict OH HN O N S O O F F F F F + N O _ O Ki = 0.6 nM 455.32 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO Homo sapiens CHEMBL710807 single protein format
CHEMBL173686 OBDepict H 3 C O P N O NH O OH O N Ki = 0.6 nM 453.44 CCOP(=O)(c1ccc(Oc2ccncc2)cc1)N1Cc2ccccc2CC1C(=O)NO Homo sapiens CHEMBL710806 single protein format
CHEMBL317508 OBDepict OH HN O O N N N O N IC50 = 0.6 nM 455.47 N#Cc1ccc(-c2ccc(OCC(CCn3nnc4ccccc4c3=O)C(=O)NO)cc2)cc1 Homo sapiens CHEMBL714516 single protein format