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P22894 | MMP8_HUMAN | Neutrophil collagenase (MMP8)

3D structures mapped by conservation among orthologs

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

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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
CHEMBL2064547 OBDepict F N N N N S O O O CH 3 H HN O CH 3 H 3 C OH IC50 = 0.02 nM 429.47 COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066797 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 = 0.04 nM 561.63 COc1ccc(S(=O)(=O)N(Cc2cn(CCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2066797 single protein format
CHEMBL11306 OBDepict H 3 C NH O N H H O H NH O CH 3 H 3 C HO IC50 = 0.046 nM 349.43 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL1007241 single protein format
CHEMBL2425938 OBDepict F O S N O O H HN O H 3 C CH 3 N OH N N O F N IC50 = 0.05 nM 596.66 CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCCOc2cccnc2F)nn1)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL440498 OBDepict HO NH O S O O O O Cl IC50 = 0.097 nM 425.89 O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL3388712 single protein format
CHEMBL293503 OBDepict OH HN O N S O O F F F F F + N O _ O Ki = 0.1 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 CHEMBL713834 single protein format
CHEMBL306524 OBDepict HO N H O H HN O CH 3 H 3 C H N H O N H HO Ki = 0.1 nM 494.59 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL70417 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N H N Ki = 0.11 nM 465.55 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL19611 OBDepict OH HN O H N H O CH 3 CH 3 H NH O H 3 C N H Ki = 0.18 nM 388.47 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 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 CHEMBL2429273 single protein format
CHEMBL2425950 OBDepict HO NH O N H S CH 3 CH 3 O O O H 3 C N N N NH S O O F IC50 = 0.2 nM 584.65 COc1ccc(S(=O)(=O)N(CCn2cc(CNS(=O)(=O)c3ccc(F)cc3)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL439983 OBDepict OH N H O N H H H N H O CH 3 CH 3 H N H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.2 nM 471.6 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL711313 single protein format
CHEMBL71482 OBDepict H 3 C H N H O HN O H OH N H O CH 3 N H Ki = 0.24 nM 416.52 CCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Homo sapiens CHEMBL713844 single protein format
CHEMBL310249 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N H N Ki = 0.29 nM 465.55 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccncc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL68890 OBDepict H 3 C H N H O HN O H OH N H O CH 3 N H Ki = 0.3 nM 388.47 CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Homo sapiens CHEMBL713844 single protein format
CHEMBL70430 OBDepict OH N H O H NH O H 3 C CH 3 H N H O N O Ki = 0.3 nM 512.65 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL713844 single protein format
CHEMBL2425941 OBDepict F O S N O O H HN O H 3 C CH 3 N OH IC50 = 0.3 nM 373.41 CC(C)[C@H](C(=O)NO)N(CC#N)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL123775 OBDepict OH N H O N CH 3 S O O F F F F F + N O _ O Ki = 0.3 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 CHEMBL713834 single protein format
CHEMBL302311 OBDepict OH N H O H NH O H 3 C CH 3 H N H O N OH Ki = 0.33 nM 456.54 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL306224 OBDepict HO N H O H NH O CH 3 CH 3 H N H O N H Ki = 0.34 nM 414.51 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 Homo sapiens CHEMBL713844 single protein format
CHEMBL420932 OBDepict OH NH O NH H O H N H N H O H 3 C H 3 C OH Ki = 0.35 nM 418.49 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO Homo sapiens CHEMBL713844 single protein format
CHEMBL227824 OBDepict H 3 C O S NH O O P H O OH HO CH 3 H 3 C IC50 = 0.37 nM 413.43 CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL918800 single protein format
CHEMBL227484 OBDepict CH 3 S NH O O P H O OH HO CH 3 H 3 C IC50 = 0.39 nM 383.41 Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL918800 single protein format
CHEMBL422948 OBDepict OH HN O H N H O CH 3 CH 3 H NH O N H N O Ki = 0.39 nM 501.63 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL713844 single protein format
CHEMBL2425936 OBDepict F N N N N S O O O F H NH O H 3 C CH 3 HO IC50 = 0.4 nM 489.55 CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL515980 OBDepict OH N H O N H S H 3 C CH 3 O O O O OH IC50 = 0.4 nM 422.46 CC(C)[C@H](C(=O)NO)N(CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL1010050 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 = 0.4 nM 457.53 COc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL281795 OBDepict OH N H O H NH O CH 3 H 3 C H O NH N Ki = 0.4 nM 456.59 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O Homo sapiens CHEMBL713841 single protein format
CHEMBL1801399 OBDepict HO NH O S O O O O F F F N CH 3 CH 3 IC50 = 0.4 nM 502.51 CC(C)N1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL4524116 OBDepict OH HN O HN S H O H O O O F IC50 = 0.4 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 CHEMBL713850 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 CHEMBL1806087 single protein format
CHEMBL227501 OBDepict CH 3 CH 3 P N H H O OH HO S O O H 3 C IC50 = 0.4 nM 383.41 Cc1cccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)c1 Homo sapiens CHEMBL918800 single protein format
CHEMBL1801054 OBDepict HO NH O S O O O S F F F O IC50 = 0.4 nM 477.48 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL70571 OBDepict CH 3 N H O NH H O H N OH H H N H O CH 3 H 3 C HO Ki = 0.41 nM 404.47 CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO Homo sapiens CHEMBL713844 single protein format
CHEMBL70965 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N N H Ki = 0.43 nM 465.55 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1 Homo sapiens CHEMBL713844 single protein format
CHEMBL306912 OBDepict OH HN O H N H O CH 3 CH 3 H NH O H 3 C S Ki = 0.45 nM 405.52 CNC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL419751 OBDepict H 3 C N H O N H H O H O N H O CH 3 HO OH Ki = 0.45 nM 429.47 CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccc(O)cc1 Homo sapiens CHEMBL713837 single protein format
CHEMBL306871 OBDepict HO N H O H HN O CH 3 H 3 C H N H O N H N Ki = 0.49 nM 479.58 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1 Homo sapiens CHEMBL713844 single protein format
CHEMBL72788 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N O H Ki = 0.49 nM 454.53 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1 Homo sapiens CHEMBL713844 single protein format
CHEMBL311266 OBDepict CH 3 O O N O HN O OH S O O O H 3 C IC50 = 0.5 nM 506.58 COCCOC(=O)N1CCC(C(NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)O)CC1 Homo sapiens CHEMBL873369 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 = 0.5 nM 564.64 COc1ccc(S(=O)(=O)N(CCn2cc(CCCCOc3cccnc3F)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL88520 OBDepict CH 3 HN O N H O H N H O H H O H 3 C H 3 C HN O OH Ki = 0.5 nM 462.55 CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1 Homo sapiens CHEMBL713835 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 = 0.5 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 CHEMBL2066797 single protein format
CHEMBL293357 OBDepict OH NH O N S O O N H NH O S O O F + N O _ O Ki = 0.5 nM 581.56 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1)NO Homo sapiens CHEMBL718141 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 = 0.5 nM 458.6 CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713841 single protein format
CHEMBL70398 OBDepict CH 3 NH O N H H O H 3 C CH 3 H HO H NH O H 3 C CH 3 HO Ki = 0.53 nM 331.41 CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO Homo sapiens CHEMBL713844 single protein format
CHEMBL75094 OBDepict OH N H O H N S CH 3 CH 3 S O O O N IC50 = 0.54 nM 423.52 CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL713848 single protein format
CHEMBL303155 OBDepict HO NH O H N H O H 3 C H 3 C H HN O CH 3 N Ki = 0.54 nM 400.48 CNC(=O)[C@@H](Cc1cccc2cccnc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL77163 OBDepict CH 3 HN O HN H H 3 C CH 3 H 3 C O P O OH Cl IC50 = 0.56 nM 583.11 CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Cl)cc1)CP(=O)(O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Homo sapiens CHEMBL713849 single protein format
CHEMBL71995 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N N S H Ki = 0.56 nM 471.58 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1 Homo sapiens CHEMBL713844 single protein format
CHEMBL307090 OBDepict HO HN O H NH O CH 3 H 3 C H N H O N H N N Ki = 0.59 nM 482.59 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCn1ccnc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL441662 OBDepict OH N H O H N S CH 3 CH 3 S O O O H 3 C IC50 = 0.6 nM 402.54 COc1ccc(S(=O)(=O)N2CCCCCSC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL711311 single protein format
CHEMBL1801431 OBDepict HO NH O S O O O O F F F N N IC50 = 0.6 nM 551.54 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL202932 OBDepict CH 3 O S NH O O P H O OH HO CH 3 H 3 C Ki = 0.6 nM 399.41 COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1 Homo sapiens CHEMBL870609 single protein format
CHEMBL340461 OBDepict OH N H O N S O O F F F F F CH 3 CH 3 Ki = 0.6 nM 466.43 CC(C)CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL713834 single protein format
CHEMBL69506 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N Ki = 0.63 nM 426.52 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL70492 OBDepict HO NH O H N H O H 3 C H 3 C H HN O CH 3 Ki = 0.64 nM 399.49 CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL70570 OBDepict HO NH O H N H O CH 3 H 3 C H HN O CH 3 H 3 C CH 3 Ki = 0.65 nM 315.41 CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL72678 OBDepict OH HN O H N H O CH 3 CH 3 H NH O H 3 C N H 3 C Ki = 0.66 nM 402.5 CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL141080 OBDepict OH HN O H N S CH 3 CH 3 S O O O H 3 C IC50 = 0.7 nM 360.46 COc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL711311 single protein format
CHEMBL1801429 OBDepict HO NH O S O O O O F F F NH IC50 = 0.7 nM 460.43 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL4088630 OBDepict OH N H O N S CH 3 CH 3 S O O O H 3 C IC50 = 0.7 nM 360.46 COc1ccc(S(=O)(=O)N2CCSC(C)(C)C2C(=O)NO)cc1 Homo sapiens CHEMBL4037122 assay format
CHEMBL308228 OBDepict HO N H O H HN O CH 3 H 3 C H N H O CH 3 H N Ki = 0.7 nM 440.54 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)N[C@@H](C)c1ccccc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL45483 OBDepict H 3 C N H O N H H O H O N H O H 3 C CH 3 CH 3 OH Ki = 0.7 nM 379.46 CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713837 single protein format
CHEMBL54054 OBDepict OH HN O N S O O F F F + N O _ O Ki = 0.7 nM 433.36 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)NO Homo sapiens CHEMBL718141 single protein format
CHEMBL439931 OBDepict OH NH O N S O O N H NH O S O O + N O _ O Ki = 0.7 nM 563.57 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)NO Homo sapiens CHEMBL718141 single protein format
CHEMBL234530 OBDepict OH HN O N S O O O HN O S O O NH 2 IC50 = 0.74 nM 562.63 NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL1010050 single protein format
CHEMBL71071 OBDepict HO N H O H HN O H 3 C CH 3 H N H O CH 3 H N H Ki = 0.75 nM 478.59 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL290377 OBDepict CH 3 HN O HN H H 3 C CH 3 H 3 C O P O OH IC50 = 0.77 nM 548.66 CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C Homo sapiens CHEMBL713849 single protein format
CHEMBL376557 OBDepict Cl S HN O O P H O HO OH CH 3 CH 3 IC50 = 0.81 nM 403.82 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)P(=O)(O)O Homo sapiens CHEMBL918800 single protein format
CHEMBL3932562 OBDepict OH HN O HN H CH 3 H 3 C S O O NH O N N H O IC50 = 0.82 nM 549.61 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(=O)NO Homo sapiens CHEMBL3868402 single protein format
CHEMBL305222 OBDepict H 3 C NH O N H H O H NH O CH 3 H 3 C HO Ki = 0.82 nM 349.43 CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL1801052 OBDepict HO NH O S O O O O F F F O IC50 = 0.9 nM 461.41 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL2425932 OBDepict F N N N N S O O H 3 C H HN O CH 3 CH 3 OH IC50 = 0.9 nM 441.53 Cc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 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 = 0.9 nM 411.46 COc1ccc(S(=O)(=O)N(Cc2ccc(F)nc2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL901569 single protein format
CHEMBL74182 OBDepict HO N H O H HN O CH 3 H 3 C H N H O N HN H O O Ki = 0.94 nM 551.64 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNC(=O)OCc1ccccc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL69024 OBDepict HO N H O H HN O H 3 C CH 3 H N H O N Ki = 0.96 nM 426.52 CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccncc1)C(=O)NCc1ccccc1 Homo sapiens CHEMBL713844 single protein format
CHEMBL140543 OBDepict OH O O N S O O N H 3 C H 3 C IC50 = 1.0 nM 464.54 CN(C)c1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4CC3C(=O)C(=O)O)cc2)cc1 Homo sapiens CHEMBL711316 single protein format
CHEMBL187092 OBDepict OH N H O H N S CH 3 OH O O O Cl F IC50 = 1.0 nM 472.92 C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL828509 single protein format
CHEMBL2425935 OBDepict F O S N O O H HN O H 3 C CH 3 N OH + N _ N IC50 = 1.0 nM 403.44 CC(C)[C@H](C(=O)NO)N(CCN=[N+]=[N-])S(=O)(=O)c1ccc(OCCF)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL2425931 OBDepict OH N H O N H S H 3 C CH 3 O O H 3 C N + N _ N IC50 = 1.0 nM 355.42 Cc1ccc(S(=O)(=O)N(CCN=[N+]=[N-])[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL2425930 OBDepict HO NH O N H S CH 3 CH 3 O O O H 3 C N N N N S CH 3 O O F IC50 = 1.0 nM 598.68 COc1ccc(S(=O)(=O)N(CCn2cc(CN(C)S(=O)(=O)c3ccc(F)cc3)nn2)[C@@H](C(=O)NO)C(C)C)cc1 Homo sapiens CHEMBL2429273 single protein format
CHEMBL138814 OBDepict OH N H O N S O O O H 3 C HO IC50 = 1.0 nM 378.41 COc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3CC2C(=O)NO)cc1 Homo sapiens CHEMBL711316 single protein format
CHEMBL56498 OBDepict OH HN O N S O O N H N H O S O O + N O _ O Ki = 1.0 nM 563.57 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(NC(=O)NS(=O)(=O)c2ccccc2)c1)NO Homo sapiens CHEMBL718141 single protein format
CHEMBL313483 OBDepict HO NH O H N H O H O HN O CH 3 Ki < 1.0 nM 441.53 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO Homo sapiens CHEMBL660241 single protein format
CHEMBL300162 OBDepict HO O O H N S O O N H 3 C H 3 C IC50 = 1.0 nM 464.54 CN(C)c1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)C(=O)O)cc2)cc1 Homo sapiens CHEMBL717812 single protein format
CHEMBL122711 OBDepict OH HN O N S O O F F F F F + N O _ O Ki = 1.0 nM 455.32 O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO Homo sapiens CHEMBL713834 single protein format
CHEMBL79433 OBDepict HO NH O S O O O Cl N IC50 = 1.0 nM 501.0 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL713846 single protein format
CHEMBL70315 OBDepict H 3 C N H O HN H O N H NH O H 3 C H 3 C OH Ki = 1.0 nM 400.48 CNC(=O)[C@@H](Cc1cnc2ccccc2c1)NC(=O)[C@@H](CC(=O)NO)CC(C)C Homo sapiens CHEMBL713844 single protein format
CHEMBL293359 OBDepict OH N H O H N S O O O H 3 C HO IC50 = 1.0 nM 378.41 COc1ccc(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL717812 single protein format
CHEMBL332755 OBDepict OH N H O N S CH 3 CH 3 O O F F F F F Ki = 1.0 nM 452.4 CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL713834 single protein format
CHEMBL374377 OBDepict F S HN O O P H O HO OH CH 3 CH 3 IC50 = 1.1 nM 387.37 CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)P(=O)(O)O Homo sapiens CHEMBL918800 single protein format
CHEMBL91636 OBDepict HO NH O H H O HN O H 3 C H 3 C H O N H NH O N O O Ki = 1.1 nM 527.62 CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO Homo sapiens CHEMBL713835 single protein format
CHEMBL123463 OBDepict OH N H O N CH 3 S O O F F F F F Ki = 1.1 nM 424.35 CC(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL713834 single protein format
CHEMBL262676 OBDepict OH HN O N S O O F F F F F Ki = 1.1 nM 410.32 O=C(CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)NO Homo sapiens CHEMBL713834 single protein format
CHEMBL54483 OBDepict OH NH O N S O O N H NH O S O O Cl + N O _ O Ki = 1.1 nM 598.02 O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)NO Homo sapiens CHEMBL718141 single protein format
CHEMBL306726 OBDepict HO N H O N H 3 C S O O F F F F F + N O _ O Ki = 1.1 nM 469.34 CC(C(=O)NO)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL713834 single protein format
CHEMBL1801430 OBDepict OH NH O S O O O O F F F N IC50 = 1.2 nM 500.5 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1 Homo sapiens CHEMBL1806087 single protein format
CHEMBL3958969 OBDepict OH N H O N S O O O N H O N N H O IC50 = 1.2 nM 543.6 O=C(NCc1cccc(OCCCS(=O)(=O)N2CCCCC2C(=O)NO)c1)c1nc2ccccc2c(=O)[nH]1 Homo sapiens CHEMBL3868402 single protein format
CHEMBL1801046 OBDepict HO NH O S O O O Cl O IC50 = 1.2 nM 411.86 O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 Homo sapiens CHEMBL1806087 single protein format