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P04062 | GLCM_HUMAN | Lysosomal acid glucosylceramidase (GBA)

3D structures mapped by conservation among orthologs

[ Domain: "Glycosyl hydrolase domain" // Glyco_hydro_30C ]

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[ Domain: "TIM barrels" // Glyco_hydro_30 ]

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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
CHEMBL2029773 OBDepict CH 3 S H NH H HO H HO H HO ClH Ki = 0.4 nM 341.94 CCCCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032679 single protein format
CHEMBL3692692 OBDepict H 3 C + N _ B CH 3 F F N H 3 C CH 3 N N N H H OH H O H OH H H OH Ki = 0.95 nM 529.4 CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]43)nn1)c1c(C)cc(C)n1[B-]2(F)F Homo sapiens CHEMBL3705881 organism-based format
CHEMBL4080589 OBDepict HO H H N H HO H 3 C H OH H OH N H S O O N H 3 C CH 3 Ki = 1.0 nM 509.67 CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN(C)[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12 Homo sapiens CHEMBL4036533 single protein format
CHEMBL3289676 OBDepict H HN H OH H OH H OH O Ki = 1.0 nM 367.53 O[C@@H]1[C@@H](O)[C@@H](CCCCCOCC23CC4CC(CC(C4)C2)C3)NC[C@H]1O Homo sapiens CHEMBL3297110 single protein format
CHEMBL2164231 OBDepict CH 3 HN H H O H OH H HO H OH H HO H 3 C ClH Ki = 1.0 nM 468.12 CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC.Cl Homo sapiens CHEMBL2168216 single protein format
CHEMBL3350092 OBDepict H 3 C N CH 3 O O HN O H NH H HO H H HO HO Ki = 1.2 nM 405.45 CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1 Homo sapiens CHEMBL650038 single protein format
CHEMBL2029772 OBDepict CH 3 S H NH H HO H HO H HO ClH Ki = 1.8 nM 313.89 CCCCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032679 single protein format
CHEMBL3692692 OBDepict H 3 C + N _ B CH 3 F F N H 3 C CH 3 N N N H H OH H O H OH H H OH IC50 = 2.0 nM 529.4 CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]43)nn1)c1c(C)cc(C)n1[B-]2(F)F Homo sapiens CHEMBL3705881 organism-based format
CHEMBL3349997 OBDepict OH H N H H OH H H OH N H O N H S O O N H 3 C CH 3 Ki = 2.1 nM 508.64 CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)cccc12 Homo sapiens CHEMBL650036 single protein format
CHEMBL1091214 OBDepict CH 3 H NH H HO H HO H HO Ki = 2.2 nM 259.39 CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL1105278 single protein format
CHEMBL3349996 OBDepict HO H NH H HO H H OH N H S O O N H 3 C CH 3 Ki = 2.4 nM 395.48 CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)cccc12 Homo sapiens CHEMBL650036 single protein format
CHEMBL2029780 OBDepict H N H H OH S H OH H HO ClH Ki = 3.0 nM 333.88 Cl.O[C@@H]1[C@@H](O)[C@@H](CCSCCc2ccccc2)NC[C@H]1O Homo sapiens CHEMBL2032679 single protein format
CHEMBL3684924 OBDepict F F H HN H OH H OH Ki = 3.06 nM 167.16 O[C@@H]1CNC[C@H](C(F)F)[C@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL2029778 OBDepict H N H H OH S H OH H HO ClH Ki = 4.0 nM 311.88 Cl.O[C@@H]1[C@@H](O)[C@@H](CCSC2CCCCC2)NC[C@H]1O Homo sapiens CHEMBL2032679 single protein format
CHEMBL2164231 OBDepict CH 3 HN H H O H OH H HO H OH H HO H 3 C ClH IC50 = 4.3 nM 468.12 CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OCCCCCCCCC.Cl Homo sapiens CHEMBL2168210 single protein format
CHEMBL2029776 OBDepict CH 3 H 3 C S H NH H HO H HO H HO ClH Ki = 4.4 nM 299.86 CC(C)CCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032679 single protein format
CHEMBL3976182 OBDepict S N N N H IC50 = 5.2 nM 343.46 c1ccc2c(c1)CC(Nc1nc(-c3ccsc3)nc3ccccc13)C2 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3684924 OBDepict F F H HN H OH H OH IC50 = 5.8 nM 167.16 O[C@@H]1CNC[C@H](C(F)F)[C@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL2029777 OBDepict H NH H OH S H HO H HO ClH Ki = 6.0 nM 297.85 Cl.O[C@@H]1[C@@H](O)[C@@H](CCSC2CCCC2)NC[C@H]1O Homo sapiens CHEMBL2032679 single protein format
CHEMBL3939100 OBDepict N N N H IC50 = 6.5 nM 337.43 c1ccc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)cc1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3289679 OBDepict CH 3 N CH 3 S NH O O H NH H HO H HO H HO Ki = 7.5 nM 395.48 CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3NC[C@@H](O)[C@H](O)[C@H]3O)cccc12 Homo sapiens CHEMBL3297111 single protein format
CHEMBL3930102 OBDepict S N N N H IC50 = 8.2 nM 343.46 c1csc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3923120 OBDepict N N N N H IC50 = 8.3 nM 338.41 c1cncc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3950881 OBDepict H HN N N N IC50 = 8.7 nM 352.44 c1cncc(-c2nc(N[C@H]3CCc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3684928 OBDepict H HO H N H H OH H OH Ki = 8.9 nM 223.27 O[C@H](c1ccccc1)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL3923147 OBDepict H HN N N N IC50 = 9.9 nM 352.44 c1cncc(-c2nc(N[C@@H]3CCc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL2029782 OBDepict H NH H HO S H HO H HO N H HN O ClH Ki = 12.0 nM 391.92 Cl.O=C(NCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O)Nc1ccccc1 Homo sapiens CHEMBL2032679 single protein format
CHEMBL3976949 OBDepict H 3 C N N N N H IC50 = 12.5 nM 352.44 Cc1cncc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3684928 OBDepict H HO H N H H OH H OH IC50 = 17.0 nM 223.27 O[C@H](c1ccccc1)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL2029771 OBDepict CH 3 S H NH H HO H HO H HO ClH Ki = 18.0 nM 285.84 CCCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032679 single protein format
CHEMBL2105671 OBDepict OH O OH HO O HO HO H HN H OH H OH IC50 = 19.0 nM 297.26 O=C(O)C(O)C(O)C(=O)O.OC[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL2172820 assay format
CHEMBL1090540 OBDepict H HN H OH H OH H HO H 3 C IC50 = 19.0 nM 217.31 CCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL1105278 single protein format
CHEMBL4069909 OBDepict OH H H HN H HO H OH H OH N H S O O N H 3 C CH 3 Ki = 19.0 nM 495.64 CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12 Homo sapiens CHEMBL4036533 single protein format
CHEMBL2029779 OBDepict H N H H HO S H HO H OH ClH Ki = 19.0 nM 319.85 Cl.O[C@@H]1[C@@H](O)[C@@H](CCSCc2ccccc2)NC[C@H]1O Homo sapiens CHEMBL2032679 single protein format
CHEMBL3956777 OBDepict H H 3 C H N H N N N IC50 = 20.0 nM 318.42 C[C@H]1CC[C@H](Nc2nc(-c3cccnc3)nc3ccccc23)CC1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL403714 OBDepict O N H N CH 3 N O Ki = 21.0 nM 353.47 Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL3956552 OBDepict O N N N H IC50 = 21.1 nM 327.39 c1coc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL2219816 OBDepict CH 3 N H H H HO H OH H HO H OH H OH IC50 = 25.0 nM 305.42 CCCCCCCCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL3226617 single protein format
CHEMBL4278926 OBDepict H 3 C O O O HN N NH H OH H OH H OH IC50 = 25.0 nM 389.49 CCCCCCCCOC1OCC(CNC(=N)N2C[C@H](O)[C@@H](O)[C@H](O)C2)O1 Homo sapiens CHEMBL4258348 single protein format
CHEMBL3350086 OBDepict NH 2 H N H H OH H H HO HO Ki = 25.1 nM 162.19 NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O Homo sapiens CHEMBL650038 single protein format
CHEMBL3216319 OBDepict CH 3 N H H H NH H OH H HO H HO H HO H 3 C ClH ClH Ki = 26.0 nM 503.6 CCCCCCCCCN[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCCCCCCC.Cl.Cl Homo sapiens CHEMBL2015462 single protein format
CHEMBL3964444 OBDepict N H N N N IC50 = 27.0 nM 332.45 c1cncc(-c2nc(NC3CCCCCCC3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL2029775 OBDepict H HN H OH S H OH H HO CH 3 CH 3 H 3 C ClH Ki = 29.0 nM 285.84 CC(C)(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032678 single protein format
CHEMBL3968646 OBDepict H 3 C N N N N H IC50 = 29.4 nM 352.44 Cc1ccc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)cn1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL2029783 OBDepict H HN H OH S H OH H OH NH O ClH Ki = 30.0 nM 376.91 Cl.O=C(CSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O)NCc1ccccc1 Homo sapiens CHEMBL2032678 single protein format
CHEMBL403714 OBDepict O N H N CH 3 N O IC50 = 31.0 nM 353.47 Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL2219816 OBDepict CH 3 N H H H HO H OH H HO H OH H OH Ki = 32.0 nM 305.42 CCCCCCCCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL3226616 single protein format
CHEMBL2164227 OBDepict H 3 C HN H H OH H HO H OH H HO H HO ClH Ki = 32.0 nM 341.88 CCCCCCCCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2168216 single protein format
CHEMBL3941104 OBDepict N N N N H O IC50 = 35.0 nM 354.41 c1cncc(-c2nc(NC3COc4ccccc4C3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3974789 OBDepict N H N N N IC50 = 42.0 nM 318.42 c1cncc(-c2nc(NC3CCCCCC3)c3ccccc3n2)c1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3684926 OBDepict CH 3 HO H HN H OH H OH Ki = 44.0 nM 161.2 CC(O)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL3684925 OBDepict CH 3 F H HN H OH H OH Ki = 49.8 nM 163.19 CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL1766350 OBDepict H N H H OH H OH H HO H HO N H HO N N O O IC50 = 50.0 nM 562.62 O[C@H]1[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O Homo sapiens CHEMBL1768946 single protein format
CHEMBL3786789 OBDepict HO H HN H OH N H OH O H HO NH O O Ki = 50.0 nM 403.39 O=C(Nc1ccc(Oc2ccccc2)cc1)O/N=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL3788473 single protein format
CHEMBL1766350 OBDepict H N H H OH H OH H HO H HO N H HO N N O O Ki = 50.0 nM 562.62 O[C@H]1[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O Homo sapiens CHEMBL1769092 single protein format
CHEMBL1766482 OBDepict H 3 C N N N N H H H HO H HO H OH H OH H OH Ki = 50.0 nM 414.55 CCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1769092 single protein format
CHEMBL406121 OBDepict CH 3 N S N HN O HN S O O Ki = 52.0 nM 388.47 CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 Homo sapiens CHEMBL936745 single protein format
CHEMBL2164230 OBDepict CH 3 N H H H OH H O H HO H 3 C H HO H HO ClH Ki = 53.0 nM 355.9 CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC.Cl Homo sapiens CHEMBL2168216 single protein format
CHEMBL259854 OBDepict CH 3 N H O N CH 3 N O Ki = 55.0 nM 395.55 CCCC1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)CC1 Homo sapiens CHEMBL936745 single protein format
CHEMBL3948124 OBDepict CH 3 N H N N N IC50 = 56.0 nM 318.42 CC1CCC(Nc2nc(-c3cccnc3)nc3ccccc23)CC1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL259853 OBDepict H 3 C N H O N CH 3 N O Ki = 56.0 nM 367.49 Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL1766482 OBDepict H 3 C N N N N H H H HO H HO H OH H OH H OH IC50 = 60.0 nM 414.55 CCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1768946 single protein format
CHEMBL1084109 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO IC50 = 60.0 nM 428.57 CCCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118770 single protein format
CHEMBL3354017 OBDepict OH H N H HO H OH H OH IC50 = 60.0 nM 381.56 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCC12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL3384690 single protein format
CHEMBL206468 OBDepict OH H N H H HO H HO IC50 = 60.0 nM 147.17 OC[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL993569 single protein format
CHEMBL1084109 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO Ki = 60.0 nM 428.57 CCCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118256 single protein format
CHEMBL259853 OBDepict H 3 C N H O N CH 3 N O IC50 = 63.0 nM 367.49 Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL3354041 OBDepict OH H N H HO H HO H OH O CH 3 IC50 = 70.0 nM 429.56 Cc1ccccc1-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 Homo sapiens CHEMBL3384690 single protein format
CHEMBL2414884 OBDepict OH H N H HO H HO H OH N H O F F F F F F Ki = 71.0 nM 488.43 O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Homo sapiens CHEMBL2416651 single protein format
CHEMBL2029774 OBDepict CH 3 S CH 3 H NH H HO H HO H HO ClH Ki = 76.0 nM 271.81 CC(C)SCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2032678 single protein format
CHEMBL2164227 OBDepict H 3 C HN H H OH H HO H OH H HO H HO ClH IC50 = 80.0 nM 341.88 CCCCCCCCCN[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2168213 single protein format
CHEMBL1086532 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO Ki = 80.0 nM 456.63 CCCCCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118256 single protein format
CHEMBL3692693 OBDepict _ N + N N H H OH H O H OH H H HO Ki = 83.0 nM 201.18 [N-]=[N+]=NC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]21 Homo sapiens CHEMBL3705881 organism-based format
CHEMBL3216319 OBDepict CH 3 N H H H NH H OH H HO H HO H HO H 3 C ClH ClH IC50 = 90.0 nM 503.6 CCCCCCCCCN[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCCCCCCC.Cl.Cl Homo sapiens CHEMBL2015461 single protein format
CHEMBL1082596 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO Ki = 90.0 nM 400.52 CCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118256 single protein format
CHEMBL3684925 OBDepict CH 3 F H HN H OH H OH IC50 = 94.6 nM 163.19 CC(F)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL1193417 OBDepict N H N N N IC50 = 97.0 nM 326.4 c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3684929 OBDepict H HO NH H HO H HO CH 3 CH 3 Ki = 97.0 nM 175.23 CC(C)(O)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL3354627 OBDepict OH H N H OH H HO H HO O F F F IC50 = 100.0 nM 483.53 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3384690 single protein format
CHEMBL1086532 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO IC50 = 100.0 nM 456.63 CCCCCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118770 single protein format
CHEMBL1082596 OBDepict CH 3 N N N N H H H OH H OH H HO H HO H HO IC50 = 100.0 nM 400.52 CCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 Homo sapiens CHEMBL1118771 single protein format
CHEMBL3350089 OBDepict OH H HN H OH H H HO N H S O O Ki = 100.0 nM 352.41 O=S(=O)(NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12 Homo sapiens CHEMBL650038 single protein format
CHEMBL3350087 OBDepict H 3 C N H O H N H H HO H H OH HO Ki = 100.0 nM 344.5 CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O Homo sapiens CHEMBL650038 single protein format
CHEMBL260582 OBDepict H 3 C S HN O O NH O N O H 3 C Ki = 102.0 nM 371.42 Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1 Homo sapiens CHEMBL936745 single protein format
CHEMBL408500 OBDepict CH 3 N H H OH HO H HO H HO IC50 = 103.0 nM 289.42 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Homo sapiens CHEMBL936745 single protein format
CHEMBL406121 OBDepict CH 3 N S N HN O HN S O O IC50 = 103.0 nM 388.47 CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1 Homo sapiens CHEMBL936745 single protein format
CHEMBL3684926 OBDepict CH 3 HO H HN H OH H OH IC50 = 107.0 nM 161.2 CC(O)[C@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL1818432 OBDepict OH H N H H HO H HO Ki = 110.0 nM 147.17 OC[C@@H]1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL875446 single protein format
CHEMBL406704 OBDepict H 3 C N H O N CH 3 N CH 3 Ki = 120.0 nM 379.55 Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL3684930 OBDepict CH 3 F H HN H OH H OH Ki = 121.0 nM 177.22 CC[C@@H](F)C1CNC[C@@H](O)[C@@H]1O Homo sapiens CHEMBL3705635 single protein format
CHEMBL260291 OBDepict O N H N CH 3 N O Ki = 121.0 nM 311.39 Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CC3)cc12 Homo sapiens CHEMBL936745 single protein format
CHEMBL3906252 OBDepict CH 3 N N N N H IC50 = 122.0 nM 352.44 Cc1ccncc1-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL3354620 OBDepict HO H N H HO H OH F F O H OH IC50 = 125.0 nM 451.51 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC(F)(F)CCCOCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3384690 single protein format
CHEMBL3929224 OBDepict CH 3 N H N N N IC50 = 126.0 nM 332.45 CCC1CCC(Nc2nc(-c3cccnc3)nc3ccccc23)CC1 Homo sapiens CHEMBL3860933 single protein format
CHEMBL2164230 OBDepict CH 3 N H H H OH H O H HO H 3 C H HO H HO ClH IC50 = 130.0 nM 355.9 CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC.Cl Homo sapiens CHEMBL2168213 single protein format
CHEMBL2164232 OBDepict H 3 C O H H NH 2 H HO H OH H HO H HO ClH Ki = 130.0 nM 341.88 CCCCCCCCCO[C@H]1[C@@H](N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.Cl Homo sapiens CHEMBL2168216 single protein format
CHEMBL259854 OBDepict CH 3 N H O N CH 3 N O IC50 = 133.0 nM 395.55 CCCC1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)CC1 Homo sapiens CHEMBL936745 single protein format
CHEMBL3786086 OBDepict CH 3 HN O O N NH H HO H H HO HO H HO Ki = 140.0 nM 403.52 CCCCCCCCCCCCNC(=O)O/N=C1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Homo sapiens CHEMBL3788473 single protein format
CHEMBL3692693 OBDepict _ N + N N H H OH H O H OH H H HO IC50 = 150.0 nM 201.18 [N-]=[N+]=NC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]21 Homo sapiens CHEMBL3705881 organism-based format
CHEMBL3350088 OBDepict OH H N H H OH H H HO NH O Ki = 150.0 nM 294.35 O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O Homo sapiens CHEMBL650038 single protein format