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P10619 | PPGB_HUMAN | Lysosomal protective protein (CTSA)

3D structures mapped by conservation among orthologs

[ Domain: "alpha/beta-Hydrolases" // Peptidase_S10 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3913129 OBDepict H 3 C O O CH 3 F F F N O N O OH CH 3 IC50 = 2.0 nM 436.39 COc1cccc(OC)c1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171390 OBDepict HO O N H H CH 3 O N N O F O CH 3 H 3 C CH 3 IC50 = 3.0 nM 481.52 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2F)n1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3947662 OBDepict N H 3 C H 3 C O H 3 C F N O N O HO H 3 C IC50 = 4.0 nM 423.44 COc1ccc(C(C)(C)C#N)cc1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171392 OBDepict OH O N H H H 3 C O N N O F OH H H 3 C CH 3 H 3 C IC50 = 5.0 nM 483.54 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OC[C@H](O)C(C)(C)C)n(-c2ccccc2F)n1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3900996 OBDepict CH 3 O O CH 3 Cl N O N O OH CH 3 IC50 = 5.0 nM 402.83 COc1cccc(OC)c1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3959487 OBDepict CH 3 O O CH 3 F N S O OH CH 3 IC50 = 5.0 nM 401.46 COc1cccc(OC)c1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3945914 OBDepict H 3 C O H 3 C O CH 3 F F F N O N O OH CH 3 IC50 = 6.0 nM 450.41 COc1cc(C)cc(OC)c1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3975529 OBDepict CH 3 O O CH 3 Cl N S O OH CH 3 IC50 = 7.0 nM 417.91 COc1cccc(OC)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3944726 OBDepict CH 3 O F F F F N O N O HO H 3 C IC50 = 8.0 nM 424.35 COc1cccc(F)c1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3977104 OBDepict CH 3 O H 3 C O CH 3 Cl N O N O OH CH 3 IC50 = 8.0 nM 416.86 COc1cc(C)cc(OC)c1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3898095 OBDepict CH 3 O Cl N O N O OH H 3 C IC50 = 10.0 nM 372.81 COc1ccccc1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171394 OBDepict OH O N H H H 3 C O N N O F OH H H 3 C CH 3 H 3 C IC50 = 10.0 nM 483.54 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OC[C@@H](O)C(C)(C)C)n(-c2ccccc2F)n1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3920300 OBDepict CH 3 O O H 3 C CH 3 F F F N O N O OH H 3 C IC50 = 10.0 nM 476.45 COc1ccc2c(c1-c1cc(C(CC(=O)O)c3nnc(C)o3)cc(C(F)(F)F)c1)OC(C)(C)C2 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3907904 OBDepict CH 3 O O CH 3 N S O OH CH 3 IC50 = 11.0 nM 383.47 COc1cccc(OC)c1-c1cccc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3895656 OBDepict CH 3 O F F F F N O N O HO H 3 C IC50 = 12.0 nM 424.35 COc1ccc(F)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3985600 OBDepict CH 3 O F F F N O N O HO H 3 C IC50 = 13.0 nM 406.36 COc1ccccc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3946844 OBDepict CH 3 O F F F N O N O HO H 3 C IC50 = 14.0 nM 420.39 CCOc1ccccc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3980117 OBDepict OH O O H 3 C CH 3 F N O O OH IC50 = 14.0 nM 401.39 COc1cc(CO)cc(OC)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3916226 OBDepict CH 3 O O CH 3 F F F N O N O HO H 3 C IC50 = 14.0 nM 436.39 COc1ccc(OC)c(-c2cc(C(CC(=O)O)c3nnc(C)o3)cc(C(F)(F)F)c2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171397 OBDepict H 3 C O N N N H O F H CH 3 O OH IC50 = 15.0 nM 411.43 CCOc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nn1-c1ccccc1F Homo sapiens CHEMBL2176198 cell-based format
CHEMBL2171398 OBDepict OH O N H H H 3 C O N N O F IC50 = 15.0 nM 437.47 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OCC2CC2)n(-c2ccccc2F)n1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3914540 OBDepict CH 3 O F Cl N S O OH CH 3 IC50 = 16.0 nM 405.88 COc1cccc(F)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3981058 OBDepict CH 3 O H 3 C O CH 3 F N O O OH IC50 = 16.0 nM 385.39 COc1cc(C)cc(OC)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3985437 OBDepict CH 3 O O CH 3 N O N O OH CH 3 IC50 = 17.0 nM 368.39 COc1cccc(OC)c1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3982519 OBDepict CH 3 O H 3 C Cl N O N O OH CH 3 IC50 = 17.0 nM 386.84 COc1ccc(C)cc1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3969663 OBDepict CH 3 O Cl F F F N O N O HO H 3 C IC50 = 17.0 nM 440.81 COc1cccc(Cl)c1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3900041 OBDepict CH 3 O Cl F F F N O N O HO H 3 C IC50 = 17.0 nM 440.81 COc1ccc(Cl)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3900002 OBDepict CH 3 O CH 3 F F F N O N O HO H 3 C IC50 = 17.0 nM 420.39 COc1ccc(C)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3942847 OBDepict H 3 C O H 3 C H 3 C CH 3 F F F N O N O OH CH 3 IC50 = 17.0 nM 462.47 COc1ccc(C(C)(C)C)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3985175 OBDepict CH 3 O O Cl CH 3 CH 3 N O N O HO CH 3 IC50 = 17.0 nM 442.9 COc1ccc2c(c1-c1cc(Cl)cc(C(CC(=O)O)c3nnc(C)o3)c1)OC(C)(C)C2 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3946014 OBDepict CH 3 O O O H 3 C CH 3 Cl N S O OH H 3 C IC50 = 18.0 nM 447.94 COc1ccc(OC)c(-c2cc(Cl)cc(C(CC(=O)O)c3ncc(C)s3)c2)c1OC Homo sapiens CHEMBL3887323 single protein format
CHEMBL3902645 OBDepict CH 3 O O CH 3 F N O O OH IC50 = 18.0 nM 371.36 COc1cccc(OC)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3901611 OBDepict CH 3 O HO Cl N S O OH CH 3 IC50 = 18.0 nM 403.89 COc1ccc(O)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3941265 OBDepict CH 3 O H 3 C O CH 3 Cl N S O OH CH 3 IC50 = 19.0 nM 431.94 COc1cc(C)cc(OC)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3945253 OBDepict CH 3 O Cl N S O OH H 3 C IC50 = 21.0 nM 387.89 COc1ccccc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3962665 OBDepict HO O CH 3 F F F N O N O OH CH 3 IC50 = 22.0 nM 436.39 COc1ccc(CO)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3915744 OBDepict CH 3 O O CH 3 F F F N O N O HO H 3 C IC50 = 23.0 nM 436.39 COc1ccc(-c2cc(C(CC(=O)O)c3nnc(C)o3)cc(C(F)(F)F)c2)c(OC)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3893164 OBDepict CH 3 O H 3 C O CH 3 N O N O OH CH 3 IC50 = 24.0 nM 382.42 COc1cc(C)cc(OC)c1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3953436 OBDepict CH 3 O CH 3 N O N O OH H 3 C IC50 = 24.0 nM 352.39 COc1ccc(C)cc1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3933072 OBDepict H 3 C O Cl N O N O OH CH 3 IC50 = 24.0 nM 386.84 CCOc1ccccc1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3145342 OBDepict HO O N H O N H N O F F IC50 = 25.0 nM 463.44 O=C(O)CC(NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1)c1ccc(-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3985962 OBDepict CH 3 O CH 3 CH 3 Cl N O N O OH H 3 C IC50 = 25.0 nM 414.89 COc1ccc(C(C)C)cc1-c1cc(Cl)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171396 OBDepict H 3 C O N N N H O F H CH 3 O HO IC50 = 26.0 nM 397.41 COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nn1-c1ccccc1F Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3908185 OBDepict CH 3 O CH 3 CH 3 H N O N O HO H 3 C IC50 = 27.0 nM 380.44 COc1ccc(C(C)C)cc1-c1cccc([C@@H](CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3935782 OBDepict H 3 C O O CH 3 Cl N S O OH CH 3 IC50 = 28.0 nM 417.91 COc1ccc(OC)c(-c2cc(Cl)cc(C(CC(=O)O)c3ncc(C)s3)c2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3891945 OBDepict CH 3 O H 3 C O CH 3 F N S O OH CH 3 IC50 = 28.0 nM 415.49 COc1cc(C)cc(OC)c1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3889674 OBDepict OH O H 3 C Cl N S O OH H 3 C IC50 = 29.0 nM 417.91 COc1ccc(CO)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3682847 OBDepict OH O N H H CH 3 O N CH 3 CH 3 IC50 = 29.4 nM 388.47 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(C)c2C)n1 Homo sapiens CHEMBL3705983 single protein format
CHEMBL3942531 OBDepict CH 3 O O CH 3 N S O OH IC50 = 30.0 nM 369.44 COc1cccc(OC)c1-c1cccc(C(CC(=O)O)c2nccs2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171399 OBDepict H 3 C O N F N N H O F H CH 3 O HO IC50 = 30.0 nM 415.4 COc1c(F)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nn1-c1ccccc1F Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3937024 OBDepict CH 3 O H 3 C CH 3 F F F N O N O HO H 3 C IC50 = 31.0 nM 448.44 COc1ccc(C(C)C)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3930978 OBDepict CH 3 O O CH 3 Cl N O N O HO H 3 C IC50 = 33.0 nM 402.83 COc1ccc(-c2cc(Cl)cc(C(CC(=O)O)c3nnc(C)o3)c2)c(OC)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3931996 OBDepict CH 3 O Cl Cl N S O OH CH 3 IC50 = 34.0 nM 422.33 COc1ccc(Cl)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3983446 OBDepict H 3 C O F F F F N O N O OH CH 3 IC50 = 35.0 nM 424.35 COc1cc(F)ccc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3945021 OBDepict CH 3 O H 3 C H 3 C CH 3 H N S O OH IC50 = 35.0 nM 395.52 COc1ccc(C(C)(C)C)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3962204 OBDepict CH 3 O F F Cl N S O OH CH 3 IC50 = 37.0 nM 423.87 COc1ccc(F)c(F)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3682898 OBDepict CH 3 O N CH 3 N H O CH 3 H O OH H 3 C IC50 = 37.0 nM 418.49 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(C)c1C Homo sapiens CHEMBL3705983 single protein format
CHEMBL3979075 OBDepict CH 3 O F Cl N S O OH CH 3 IC50 = 38.0 nM 405.88 COc1ccc(F)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3145341 OBDepict OH O N H H H 3 C O N H N O F IC50 = 38.0 nM 383.38 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2F)[nH]1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3962185 OBDepict H 3 C O O CH 3 N O N O OH CH 3 IC50 = 41.0 nM 368.39 COc1ccc(OC)c(-c2cccc(C(CC(=O)O)c3nnc(C)o3)c2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3682944 OBDepict CH 3 O N F N H O H F O OH IC50 = 41.8 nM 412.39 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1ccccc1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL3921654 OBDepict CH 3 O H 3 C O CH 3 N S O OH CH 3 IC50 = 44.0 nM 397.5 COc1cc(C)cc(OC)c1-c1cccc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3928014 OBDepict CH 3 O CH 3 CH 3 F N O N O OH H 3 C IC50 = 44.0 nM 398.43 COc1ccc(C(C)C)cc1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3687814 OBDepict CH 3 O N F N H O F H CH 3 O OH IC50 = 46.3 nM 426.42 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccc(F)cc1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL3950022 OBDepict H 3 C O Cl N S O OH CH 3 IC50 = 47.0 nM 401.92 CCOc1ccccc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3682986 OBDepict CH 3 O N F N H O Cl H F O OH IC50 = 48.4 nM 446.84 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccc(Cl)c1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL3902520 OBDepict CH 3 O CH 3 CH 3 N O N O OH H 3 C IC50 = 49.0 nM 380.44 COc1ccc(C(C)C)cc1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3937319 OBDepict CH 3 O H 3 C O CH 3 N O O OH IC50 = 49.0 nM 367.4 COc1cc(C)cc(OC)c1-c1cccc(C(CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3687790 OBDepict CH 3 O N F N H O F H Cl O OH IC50 = 49.1 nM 446.84 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1ccc(F)cc1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL2171393 OBDepict OH O N H H Cl O N Cl N O F OH H H 3 C CH 3 H 3 C IC50 = 50.0 nM 538.4 CC(C)(C)[C@@H](O)COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)nn1-c1ccccc1F Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3678053 OBDepict HO O N H H H 3 C O N Cl IC50 = 50.0 nM 394.86 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccccc2Cl)n1 Homo sapiens CHEMBL3705983 single protein format
CHEMBL3687834 OBDepict CH 3 O N Cl N H O F H Cl O OH IC50 = 50.65 nM 463.29 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1cccc(F)c1Cl Homo sapiens CHEMBL3705983 single protein format
CHEMBL3958275 OBDepict CH 3 O H 3 C H 3 C CH 3 H N O O OH IC50 = 51.0 nM 379.46 COc1ccc(C(C)(C)C)cc1-c1cccc([C@@H](CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3900910 OBDepict CH 3 O O F F F F F F N O N O HO H 3 C IC50 = 51.0 nM 490.36 COc1ccc(OC(F)(F)F)cc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3895510 OBDepict CH 3 O H 3 C Cl N S O OH CH 3 IC50 = 52.0 nM 401.92 COc1ccc(C)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3957521 OBDepict CH 3 O H 3 C F N S O OH CH 3 IC50 = 52.0 nM 385.46 COc1ccc(C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3978139 OBDepict OH O CH 3 Cl N S O OH CH 3 IC50 = 52.0 nM 417.91 COc1cccc(CO)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3687927 OBDepict CH 3 O N CH 3 N H O CH 3 H F O OH IC50 = 52.8 nM 422.46 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccc(C)c1C Homo sapiens CHEMBL3705983 single protein format
CHEMBL3940536 OBDepict CH 3 O O CH 3 Cl N S O HO H 3 C IC50 = 53.0 nM 417.91 COc1ccc(-c2cc(Cl)cc(C(CC(=O)O)c3ncc(C)s3)c2)c(OC)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3948276 OBDepict CH 3 O CH 3 F F F N O N O HO H 3 C IC50 = 53.0 nM 420.39 COc1c(C)cccc1-c1cc(C(CC(=O)O)c2nnc(C)o2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3926017 OBDepict CH 3 O Cl Cl N S O OH CH 3 IC50 = 53.0 nM 422.33 COc1cccc(Cl)c1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3972672 OBDepict CH 3 O CH 3 CH 3 CH 3 Cl N S O OH H 3 C IC50 = 55.0 nM 444.0 COc1ccc(C(C)(C)C)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3913250 OBDepict CH 3 O O O H 3 C CH 3 N S O OH H 3 C IC50 = 56.0 nM 413.5 COc1ccc(OC)c(-c2cccc(C(CC(=O)O)c3ncc(C)s3)c2)c1OC Homo sapiens CHEMBL3887323 single protein format
CHEMBL3960856 OBDepict CH 3 O F F N S O OH CH 3 IC50 = 56.0 nM 389.42 COc1cccc(F)c1-c1cc(F)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3145343 OBDepict OH O N H H H 3 C O N H N O Cl IC50 = 57.0 nM 399.83 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2ccccc2Cl)[nH]1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3687796 OBDepict H 3 C O N F N H O F H Cl O HO IC50 = 57.1 nM 446.84 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1cc(F)ccc1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL3145344 OBDepict OH O N H H H 3 C O N H N O F IC50 = 59.0 nM 383.38 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(=O)n(-c2cccc(F)c2)[nH]1 Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3933390 OBDepict CH 3 O CH 3 CH 3 CH 3 F N O O OH IC50 = 59.0 nM 397.45 COc1ccc(C(C)(C)C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL2171391 OBDepict OH O N H H Cl O N Cl N O F O H 3 C CH 3 H 3 C IC50 = 60.0 nM 536.39 CC(C)(C)C(=O)COc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2Cl)nn1-c1ccccc1F Homo sapiens CHEMBL2176198 cell-based format
CHEMBL3902133 OBDepict CH 3 O F N O N O OH H 3 C IC50 = 60.0 nM 356.35 COc1ccc(F)cc1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3976334 OBDepict CH 3 O N O N O OH CH 3 IC50 = 61.0 nM 338.36 COc1ccccc1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3946210 OBDepict CH 3 O H 3 C H 3 C CH 3 N O N O OH CH 3 IC50 = 61.0 nM 394.47 COc1ccc(C(C)(C)C)cc1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3687912 OBDepict HO O N H H O N Cl Cl IC50 = 62.3 nM 415.28 O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3705983 single protein format
CHEMBL3968764 OBDepict H 3 C O H 3 C Cl N S O OH CH 3 IC50 = 65.0 nM 415.94 CCOc1ccc(C)cc1-c1cc(Cl)cc(C(CC(=O)O)c2ncc(C)s2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3893162 OBDepict OH O N O N H 3 C F F F O F F F IC50 = 65.0 nM 460.33 Cc1nnc(C(CC(=O)O)c2cc(-c3ccccc3OC(F)(F)F)cc(C(F)(F)F)c2)o1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3931851 OBDepict CH 3 O H 3 C O CH 3 N S O OH IC50 = 66.0 nM 383.47 COc1cc(C)cc(OC)c1-c1cccc(C(CC(=O)O)c2nccs2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3970901 OBDepict CH 3 O F F N O N O OH CH 3 IC50 = 67.0 nM 374.34 COc1cccc(F)c1-c1cc(F)cc(C(CC(=O)O)c2nnc(C)o2)c1 Homo sapiens CHEMBL3887323 single protein format
CHEMBL3687838 OBDepict CH 3 O N Cl N H O CH 3 H Cl O OH IC50 = 67.8 nM 459.33 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)nc1-c1cccc(C)c1Cl Homo sapiens CHEMBL3705983 single protein format
CHEMBL3682858 OBDepict CH 3 O N F N H O H CH 3 O OH IC50 = 68.3 nM 408.43 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccccc1F Homo sapiens CHEMBL3705983 single protein format
CHEMBL3682887 OBDepict CH 3 O N Cl N H O Cl H O OH H 3 C IC50 = 69.6 nM 459.33 COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1cccc(Cl)c1Cl Homo sapiens CHEMBL3705983 single protein format