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P12821 | ACE_HUMAN | Angiotensin-converting enzyme (ACE)

3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M2 ]

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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
CHEMBL443353 OBDepict HS H 3 C H N O H S H O OH IC50 = 0.029 nM 367.54 C[C@H](CS)C(=O)N1[C@@H](SCCCc2ccccc2)CC[C@H]1C(=O)O Homo sapiens CHEMBL1004838 single protein format
CHEMBL198316 OBDepict O N H SH H H O N H O OH IC50 = 0.11 nM 438.55 O=C(N[C@H]1Cc2ccccc2C2CCC[C@H](C(=O)O)N2C1=O)[C@H](S)Cc1ccccc1 Homo sapiens CHEMBL881232 single protein format
CHEMBL1788109 OBDepict H 3 C S O H 3 C H N O H H O HO H O OH Ki = 0.16 nM 365.41 CC(=O)S[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H](C(=O)O)[C@@H]1c1ccccc1 Homo sapiens CHEMBL644714 single protein format
CHEMBL526298 OBDepict HS H 3 C H N O H S H O OH IC50 = 0.18 nM 353.51 C[C@H](CS)C(=O)N1[C@@H](SCCc2ccccc2)CC[C@H]1C(=O)O Homo sapiens CHEMBL1004838 single protein format
CHEMBL331378 OBDepict O S H 3 C H N O H H S O OH IC50 = 0.4 nM 429.56 C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O Homo sapiens CHEMBL648689 single protein format
CHEMBL309601 OBDepict OH O H N O HN CH 3 H P O OH Ki = 0.5 nM 354.34 C[C@H](NP(=O)(O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL644711 single protein format
CHEMBL295690 OBDepict H 2 N N H H N O H H O OH S S O HO IC50 = 0.5 nM 495.67 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2 Homo sapiens CHEMBL645288 single protein format
CHEMBL347755 OBDepict OH O N H H O N H S H O HO IC50 = 0.6 nM 392.48 O=C(O)C(CCc1ccccc1)N[C@H]1CCC[C@H]2SC[C@@H](C(=O)O)N2C1=O Homo sapiens CHEMBL883277 single protein format
CHEMBL4476621 OBDepict S HN N H N H O Cl Cl HO IC50 = 0.7 nM 356.23 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O Homo sapiens CHEMBL4383310 single protein format
CHEMBL579 OBDepict O N N H CH 3 H H H S S O HO O OH IC50 = 0.8 nM 438.57 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2 Homo sapiens CHEMBL645288 single protein format
CHEMBL499612 OBDepict SH H 3 C H N O H S H O OH CH 3 IC50 = 0.9 nM 353.51 Cc1cccc(CS[C@H]2CC[C@@H](C(=O)O)N2C(=O)[C@H](C)CS)c1 Homo sapiens CHEMBL1004838 single protein format
CHEMBL1519 OBDepict H 3 C O O N H H H 3 C H N O H H O HO H IC50 = 0.93 nM 430.55 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 Homo sapiens CHEMBL648689 single protein format
CHEMBL289556 OBDepict O N H HS H H O N S H H O HO IC50 = 1.0 nM 408.55 O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1 Homo sapiens CHEMBL4269906 cell-based format
CHEMBL331575 OBDepict HS N O H 3 C O OH IC50 = 1.0 nM 231.32 CC1CCCC(C(=O)O)N1C(=O)CCS Homo sapiens CHEMBL652025 tissue-based format
CHEMBL3039598 OBDepict H 3 C O O O H CH 3 CH 3 P O N O H H O HO IC50 = 1.0 nM 563.67 CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C Homo sapiens CHEMBL648689 single protein format
CHEMBL95564 OBDepict O HN H O CH 3 H N O H O HO IC50 = 1.0 nM 436.51 C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL2208710 single protein format
CHEMBL577 OBDepict HO O HN H CH 3 H N O H O HO IC50 = 1.2 nM 348.4 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL648529 single protein format
CHEMBL1237 OBDepict H 2 N N H H N O H H O OH O HO IC50 = 1.2 nM 405.5 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL648529 single protein format
CHEMBL358203 OBDepict OH O HN O N H H O OH Ki = 1.2 nM 436.51 O=C(O)C(CCc1ccccc1)NC1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O Homo sapiens CHEMBL644713 single protein format
CHEMBL305388 OBDepict HS H H N H O H O HO O CH 3 N H Ki = 1.3 nM 438.55 COc1ccc2c(c1)CC[C@H]2[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL884718 single protein format
CHEMBL172262 OBDepict O N H O N O O H O HO IC50 = 1.4 nM 412.44 O=C(NC(Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccco1 Homo sapiens CHEMBL648346 protein format
CHEMBL173849 OBDepict CH 3 O O CH 3 N H O O N O H O OH IC50 = 1.4 nM 482.53 COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O)cc1OC Homo sapiens CHEMBL648346 protein format
CHEMBL1161022 OBDepict HO O H N O N H CH 3 H P O OH OH Ki = 1.4 nM 266.19 C[C@@H](NP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL644711 single protein format
CHEMBL101469 OBDepict CH 3 N H H O OH H 3 C H N O O N H O HO IC50 = 1.5 nM 461.56 CCCCCCCC[C@H](N[C@@H](C)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL1581 OBDepict H 3 C N H H O O H 3 C H CH 3 N O H H O OH H IC50 = 1.5 nM 368.47 CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC Homo sapiens CHEMBL2445166 single protein format
CHEMBL581 OBDepict H N O HO H O P O OH Ki = 1.5 nM 435.5 O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CP(=O)(O)CCCCc1ccccc1 Homo sapiens CHEMBL2156010 single protein format
CHEMBL101360 OBDepict H 3 C NH H O OH H 3 C H N O O N H CH 3 O OH IC50 = 1.6 nM 385.46 CCCCCCCC[C@H](N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL838 OBDepict H 3 C O O N H H H O N O OH IC50 = 1.7 nM 424.5 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O Homo sapiens CHEMBL648689 single protein format
CHEMBL100413 OBDepict O N N O H N H CH 3 H O OH H O OH IC50 = 1.7 nM 453.5 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL99701 OBDepict H N H O HO CH 3 H N O O N H H 3 C O HO IC50 = 1.7 nM 377.4 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL166164 OBDepict SH N H CH 3 H N O H O HO Ki = 1.7 nM 232.31 C[C@H](NCS)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL644715 single protein format
CHEMBL2114219 OBDepict HO O N O H N H H O HO IC50 = 2.0 nM 362.43 O=C(O)CN1CCCCC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O Homo sapiens CHEMBL644704 single protein format
CHEMBL1560 OBDepict SH CH 3 H N O H O HO Ki = 2.0 nM 217.29 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL3088740 single protein format
CHEMBL328378 OBDepict CH 3 HN H O HO H N O CH 3 O N H O HO IC50 = 2.1 nM 475.59 CCCCCCCC[C@H](N[C@@H](CC)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644734 assay format
CHEMBL99798 OBDepict H 3 C H 3 C NH H O OH H 3 C H N O O N H O HO IC50 = 2.1 nM 405.45 CC(C)C[C@H](N[C@@H](C)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL500408 OBDepict SH H 3 C H N O H S H O OH CH 3 IC50 = 2.3 nM 353.51 Cc1ccccc1CS[C@H]1CC[C@@H](C(=O)O)N1C(=O)[C@H](C)CS Homo sapiens CHEMBL1004838 single protein format
CHEMBL100826 OBDepict H 3 C N H H N O H O N H O OH O HO IC50 = 2.3 nM 467.52 CC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL100063 OBDepict H 3 C N H H O OH H N O H 3 C O N H CH 3 O OH IC50 = 2.4 nM 399.49 CCCCCCCC[C@H](N[C@@H](CC)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL498798 OBDepict SH CH 3 H N O H S H O HO IC50 = 2.4 nM 339.48 C[C@H](CS)C(=O)N1[C@@H](SCc2ccccc2)CC[C@H]1C(=O)O Homo sapiens CHEMBL1004838 single protein format
CHEMBL4174467 OBDepict OH O N O N HN S OH IC50 = 2.846 nM 419.46 O=C(O)CN1C(=O)/C(=NC(=S)NCc2cc3ccccc3cc2O)c2ccccc21 Homo sapiens CHEMBL4135397 single protein format
CHEMBL1733 OBDepict HO O HN H CH 3 H N O H O HO IC50 = 2.9 nM 410.47 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O Homo sapiens CHEMBL644699 single protein format
CHEMBL289267 OBDepict OH O N O H HN H O OH S IC50 = 2.9 nM 428.51 O=C(O)CN1C(=O)[C@@H](N[C@@H](CSCc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL58042 OBDepict CH 3 O O H 3 C N O OH O NH H 3 C O HO IC50 = 3.0 nM 470.52 COc1cc2c(cc1OC)CN(C(=O)C(C)NC(CCc1ccccc1)C(=O)O)C(C(=O)O)C2 Homo sapiens CHEMBL648350 single protein format
CHEMBL58480 OBDepict OH O NH H 3 C N O O OH IC50 = 3.1 nM 396.44 CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1Cc2ccccc2C1C(=O)O Homo sapiens CHEMBL648350 single protein format
CHEMBL435360 OBDepict O N H O HO O HN H O IC50 = 3.2 nM 422.48 O=C(N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 Homo sapiens CHEMBL648346 protein format
CHEMBL526896 OBDepict HS H 3 C H N O H S H O OH IC50 = 3.2 nM 389.54 C[C@H](CS)C(=O)N1[C@@H](SCc2cccc3ccccc23)CC[C@H]1C(=O)O Homo sapiens CHEMBL1004838 single protein format
CHEMBL499305 OBDepict HS CH 3 H N O H S H O HO CH 3 CH 3 IC50 = 3.3 nM 381.56 CC(C)c1ccc(CS[C@@H]2CC[C@@H](C(=O)O)N2C(=O)[C@H](C)CS)cc1 Homo sapiens CHEMBL1004838 single protein format
CHEMBL430689 OBDepict CH 3 H 3 C HN H O HO CH 3 H N O O N H O HO IC50 = 3.3 nM 419.48 CC(C)CC[C@H](N[C@@H](C)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O)C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL431052 OBDepict H N H O HO CH 3 H N O O HN H O HO IC50 = 3.5 nM 363.37 C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C(=O)NC[C@H]1C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL2097001 OBDepict O NH Si H OH OH H 3 C H N O H O OH IC50 = 3.8 nM 470.6 C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL2184742 single protein format
CHEMBL148840 OBDepict HS H O N H H O HO IC50 = 4.0 nM 321.44 O=C(O)[C@@H]1CCCCCc2cccc(c2)C[C@@H](CS)C(=O)N1 Homo sapiens CHEMBL2208604 single protein format
CHEMBL40420 OBDepict HO O N O H N H H O OH N H O O CH 3 H 3 C CH 3 IC50 = 4.0 nM 463.53 CC(C)(C)OC(=O)NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O Homo sapiens CHEMBL644701 single protein format
CHEMBL38613 OBDepict HO O N O H N H H O OH S IC50 = 4.0 nM 414.48 O=C(O)CN1C(=O)[C@@H](N[C@@H](CSc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL1168 OBDepict H 3 C O O N H H CH 3 H N O H H O OH H IC50 = 4.0 nM 416.52 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21 Homo sapiens CHEMBL648689 single protein format
CHEMBL147185 OBDepict HS H O N H H O OH IC50 = 4.0 nM 321.44 O=C1N[C@H](C(=O)O)CCCCCc2cccc(c2)C[C@@H]1CS Homo sapiens CHEMBL644707 single protein format
CHEMBL525967 OBDepict HS CH 3 H N O H S H O HO S CH 3 IC50 = 4.1 nM 385.58 CSc1ccc(CS[C@H]2CC[C@@H](C(=O)O)N2C(=O)[C@H](C)CS)cc1 Homo sapiens CHEMBL1004838 single protein format
CHEMBL4160421 OBDepict Br N O N N H S OH IC50 = 4.11 nM 468.38 O=C1/C(=NC(=S)NCc2cc3ccccc3cc2O)c2ccccc2N1CCBr Homo sapiens CHEMBL4135397 single protein format
CHEMBL499610 OBDepict HS CH 3 H N O H S H O HO IC50 = 4.2 nM 389.54 C[C@H](CS)C(=O)N1[C@@H](SCc2ccc3ccccc3c2)CC[C@H]1C(=O)O Homo sapiens CHEMBL1004838 single protein format
CHEMBL173822 OBDepict OH N H O O N O H O OH IC50 = 4.7 nM 438.48 O=C(NC(Cc1ccc(O)cc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 Homo sapiens CHEMBL648346 protein format
CHEMBL86518 OBDepict OH O N O HN O OH IC50 = 4.8 nM 362.43 O=C(O)CN1CCCCCC(NC(CCc2ccccc2)C(=O)O)C1=O Homo sapiens CHEMBL644704 single protein format
CHEMBL372307 OBDepict O N H HS H H N S H O HO IC50 = 5.0 nM 394.56 O=C(N[C@H]1CCCSC2CCC[C@@H](C(=O)O)N21)[C@@H](S)Cc1ccccc1 Homo sapiens CHEMBL881232 single protein format
CHEMBL325056 OBDepict O N HN H H O O HO SH H IC50 = 5.0 nM 390.51 O=C(NC1CCC[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1 Homo sapiens CHEMBL648689 single protein format
CHEMBL41985 OBDepict CH 3 HN H O HO H O N O OH IC50 = 5.0 nM 348.4 CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O Homo sapiens CHEMBL644701 single protein format
CHEMBL176688 OBDepict O N H O N O N H O HO IC50 = 5.7 nM 423.47 O=C(NC(Cc1cccnc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 Homo sapiens CHEMBL648346 protein format
CHEMBL61811 OBDepict HO O N H CH 3 N O O HO IC50 = 5.8 nM 410.47 CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCc2ccccc2C1C(=O)O Homo sapiens CHEMBL648350 single protein format
CHEMBL44139 OBDepict H 3 C NH H O OH H O N O HO IC50 = 6.0 nM 334.37 CCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O Homo sapiens CHEMBL644701 single protein format
CHEMBL289556 OBDepict O N H HS H H O N S H H O HO Ki = 6.0 nM 408.55 O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1 Homo sapiens CHEMBL1045247 single protein format
CHEMBL416979 OBDepict CH 3 S HN H O HO H O N O OH IC50 = 6.5 nM 366.44 CSCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O Homo sapiens CHEMBL644701 single protein format
CHEMBL317304 OBDepict H 3 C N O N H O HO O HN CH 3 H H O OH IC50 = 6.7 nM 419.48 CCCCN1C[C@@H](C(=O)O)N(C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)O)C1=O Homo sapiens CHEMBL644735 assay format
CHEMBL430554 OBDepict NH 2 HN H O HO H O N O OH IC50 = 7.0 nM 363.41 NCCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O Homo sapiens CHEMBL644701 single protein format
CHEMBL42976 OBDepict HO O N O H N H H O OH S IC50 = 7.0 nM 442.54 O=C(O)CN1C(=O)[C@@H](N[C@@H](CSCCc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL3264010 OBDepict CH 3 H 3 C H N H H HN O O H 3 C H N H O P H O OH HO HO IC50 = 7.0 nM 519.54 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O Homo sapiens CHEMBL3269460 single protein format
CHEMBL1235767 OBDepict OH O N H H HN O O H 3 C P H O OH H 3 C H N H O H 3 C H O H 2 N Ki = 7.0 nM 498.47 CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](C)C(=O)N[C@@H](C)C(N)=O Homo sapiens CHEMBL2155979 cell-based format
CHEMBL4174072 OBDepict H 3 C O N O N N H S OH IC50 = 7.64 nM 481.58 COc1ccc(CN2C(=O)/C(=NC(=S)NCc3cc4ccccc4cc3O)c3ccccc32)cc1 Homo sapiens CHEMBL4135397 single protein format
CHEMBL86915 OBDepict OH O N O HN O OH IC50 = 8.1 nM 376.45 O=C(O)CN1CCCCCCC(NC(CCc2ccccc2)C(=O)O)C1=O Homo sapiens CHEMBL644704 single protein format
CHEMBL1592 OBDepict H 3 C O O HN H CH 3 H N O H O HO IC50 = 8.3 nM 438.52 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O Homo sapiens CHEMBL644700 single protein format
CHEMBL449792 OBDepict HS CH 3 H N O H S H O HO CH 3 CH 3 IC50 = 8.4 nM 381.56 CC(C)c1ccc(CS[C@H]2CC[C@@H](C(=O)O)N2C(=O)[C@H](C)CS)cc1 Homo sapiens CHEMBL1004838 single protein format
CHEMBL290802 OBDepict HO O N O H N H H O OH IC50 = 8.5 nM 382.42 O=C(O)CN1C(=O)[C@@H](N[C@@H](Cc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL4086264 OBDepict H 3 C HN H N O H H O OH H HN O HO O H 2 N H F F F IC50 = 8.6 nM 592.62 CC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1C[C@@H](NC(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C[C@H]1C(=O)O Homo sapiens CHEMBL4021433 single protein format
CHEMBL4163792 OBDepict S N NH O N OH O IC50 = 8.841 nM 465.53 O=C1/C(=NC(=S)NCc2cc3ccccc3cc2O)c2ccccc2N1C(=O)c1ccccc1 Homo sapiens CHEMBL4135397 single protein format
CHEMBL325055 OBDepict OH S O H N H O H 3 C H O O O O Ki = 9.8 nM 445.49 C[C@H](NC(=O)[C@@H](CSC(=O)O)Cc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1 Homo sapiens CHEMBL649540 single protein format
CHEMBL4175518 OBDepict CH 3 O N O N N H S HO IC50 = 9.82 nM 467.55 COc1ccc(N2C(=O)/C(=N/C(=S)NCc3cc4ccccc4cc3O)c3ccccc32)cc1 Homo sapiens CHEMBL4135397 single protein format
CHEMBL107695 OBDepict HO O N O N H H O HO Ki = 10.0 nM 396.44 O=C(O)CN1Cc2ccccc2CC(N[C@H](CCc2ccccc2)C(=O)O)C1=O Homo sapiens CHEMBL648284 single protein format
CHEMBL42683 OBDepict OH O N O H HN H O OH O IC50 = 10.0 nM 412.44 O=C(O)CN1C(=O)[C@@H](N[C@@H](COCc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL172801 OBDepict O N H O N O H O O OH IC50 = 10.0 nM 528.61 O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 Homo sapiens CHEMBL648346 protein format
CHEMBL4167651 OBDepict S N N H O N OH O H 3 C IC50 = 10.67 nM 403.46 CC(=O)N1C(=O)/C(=NC(=S)NCc2cc3ccccc3cc2O)c2ccccc21 Homo sapiens CHEMBL4135397 single protein format
CHEMBL1233799 OBDepict CH 3 H 3 C H N H H HN O O H 3 C H N H O P H O OH HO OH HO Ki = 11.0 nM 535.53 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O Homo sapiens CHEMBL3269460 single protein format
CHEMBL101409 OBDepict O N N O H NH H 3 C H O HO H O HO IC50 = 11.0 nM 439.47 C[C@H](N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N1C(=O)N(Cc2ccccc2)C[C@H]1C(=O)O Homo sapiens CHEMBL644735 assay format
CHEMBL4171024 OBDepict H 3 C N O N N H S HO IC50 = 11.8 nM 403.51 CCCN1C(=O)/C(=NC(=S)NCc2cc3ccccc3cc2O)c2ccccc21 Homo sapiens CHEMBL4135397 single protein format
CHEMBL3264010 OBDepict CH 3 H 3 C H N H H HN O O H 3 C H N H O P H O OH HO HO Ki = 12.0 nM 519.54 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O Homo sapiens CHEMBL3269460 single protein format
CHEMBL3264009 OBDepict H 3 C H 3 C H N H H HN O O CH 3 H N H O CH 3 CH 3 P H O OH HO HO IC50 = 12.0 nM 485.52 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O Homo sapiens CHEMBL3269460 single protein format
CHEMBL114658 OBDepict H SH NH O O N H 3 C H 3 C O HO IC50 = 12.0 nM 378.49 CC1(C)CCCC(NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(=O)O Homo sapiens CHEMBL648689 single protein format
CHEMBL1560 OBDepict SH CH 3 H N O H O HO IC50 = 12.0 nM 217.29 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL648347 protein format
CHEMBL2153745 OBDepict O HN H P O OH N O H O HO IC50 = 12.0 nM 472.48 O=C(N[C@@H](CCc1ccccc1)CP(=O)(O)CC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 Homo sapiens CHEMBL2156010 single protein format
CHEMBL432689 OBDepict O O N H N H H O HO H O N O HO IC50 = 13.0 nM 497.55 O=C(O)CN1C(=O)[C@@H](N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL44077 OBDepict OH O N O H N H H O HO N H IC50 = 13.0 nM 421.45 O=C(O)CN1C(=O)[C@@H](N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CCc2ccccc21 Homo sapiens CHEMBL644701 single protein format
CHEMBL42583 OBDepict H 2 N HN H NH O S O O CH 3 H O HO N H O H O OH HO Ki = 13.8 nM 584.69 CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC1)C(=O)O Homo sapiens CHEMBL4406514 cell-based format
CHEMBL25782 OBDepict CH 3 O O O CH 3 N O O OH IC50 = 14.0 nM 439.51 CCOC(=O)C(CCc1ccccc1)OC(C)C(=O)N1Cc2ccccc2CC1C(=O)O Homo sapiens CHEMBL648701 single protein format
CHEMBL289618 OBDepict CH 3 O O HN H H O N N H O OH O O IC50 = 15.0 nM 525.6 CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O Homo sapiens CHEMBL644701 single protein format
CHEMBL172015 OBDepict O N H O N O N H O O IC50 = 15.0 nM 513.59 O=C(NC(Cc1cccnc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL648346 protein format