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P11766 | ADHX_HUMAN | Alcohol dehydrogenase class-3 (ADH5)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // ADH_zinc_N ]

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[ Domain: "Alcohol dehydrogenase-like, N-terminal domain" // ADH_N ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4291042 OBDepict CH 3 N N N N N H N IC50 = 6.1 nM 316.37 CCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4290485 OBDepict Cl N N N H N N N IC50 = 9.2 nM 322.76 Clc1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661058 OBDepict CH 3 O OH + N H N H O _ O O N IC50 = 11.0 nM 431.45 CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4289979 OBDepict CH 3 N F N N N N H N IC50 = 11.0 nM 334.36 CCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nnn[nH]2)cc1F Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650413 OBDepict CH 3 O OH + N H N H O _ O O HN IC50 = 11.0 nM 431.45 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL4294439 OBDepict CH 3 N Cl N N N N H N IC50 = 12.0 nM 336.79 Cc1cc(-n2ccnc2)ccc1-c1ccc(-c2nnn[nH]2)cc1Cl Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650428 OBDepict H 3 C O HO HN O OH O NH S N N CH 3 IC50 = 13.0 nM 442.5 CCOc1cc(C2NC(=O)NC(c3cnn(C)c3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661051 OBDepict CH 3 O OH H NH O HO O N S N N H 3 C IC50 = 13.0 nM 440.48 CCOc1cc([C@@H]2NC(=O)N=C(c3cnn(C)c3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4289333 OBDepict F N N N H 3 C N H N N N IC50 = 14.0 nM 321.32 Cc1cc(-n2ccnc2)cnc1-c1ccc(-c2nnn[nH]2)cc1F Homo sapiens CHEMBL4260538 single protein format
CHEMBL4283184 OBDepict CH 3 N N N N N H N IC50 = 14.0 nM 302.34 Cc1cc(-n2ccnc2)ccc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650426 OBDepict CH 3 O OH + N H NH O _ O O HN S N IC50 = 16.0 nM 438.47 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661050 OBDepict CH 3 O OH + N N O _ O O HN S N IC50 = 16.0 nM 438.47 CCOc1cc(C2=NC(=O)NC(c3cccnc3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4286132 OBDepict CH 3 N N N N N N H N IC50 = 17.0 nM 303.33 Cc1cc(-n2ccnc2)cnc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661059 OBDepict CH 3 O OH + N H NH O _ O O N S IC50 = 18.0 nM 437.48 CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL3650415 OBDepict CH 3 O OH + N H NH O _ O O HN S IC50 = 18.0 nM 437.48 CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3650420 OBDepict CH 3 O OH + N NH O _ O O HN S IC50 = 19.0 nM 437.48 CCOc1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661042 OBDepict CH 3 O OH + N NH O _ O O N S IC50 = 19.0 nM 437.48 CCOc1cc(C2NC(=O)N=C(c3ccccc3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL1738699 OBDepict OH O N CH 3 N O NH 2 N IC50 = 20.0 nM 414.47 Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4283157 OBDepict CH 3 N N O OH IC50 = 20.0 nM 278.31 Cc1cc(-n2ccnc2)ccc1-c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4287066 OBDepict F N N N H N N N IC50 = 20.0 nM 306.3 Fc1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4278220 OBDepict Cl N N N N N N H N IC50 = 20.0 nM 323.75 Clc1cc(-n2ccnc2)cnc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4290516 OBDepict H N N N N N N IC50 = 22.0 nM 288.31 c1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4277254 OBDepict Cl N N N N N H N IC50 = 22.0 nM 322.76 Clc1cc(-n2ccnc2)ccc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650432 OBDepict O HN NH N N HO S CH 3 O OH IC50 = 23.0 nM 398.44 Cn1cc(C2NC(=O)NC(c3ccc(C(=O)O)c(O)c3)C2c2ccsc2)cn1 Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661057 OBDepict O N NH H N N H 3 C S OH O HO IC50 = 23.0 nM 396.43 Cn1cc(C2=NC(=O)N[C@@H](c3ccc(C(=O)O)c(O)c3)C2c2ccsc2)cn1 Homo sapiens CHEMBL3705329 single protein format
CHEMBL4286551 OBDepict CH 3 N H 3 C N N N N H N IC50 = 24.0 nM 330.4 CCc1cc(-n2ccnc2C)ccc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650425 OBDepict CH 3 O OH + N NH O _ O O HN S N IC50 = 24.0 nM 438.47 CCOc1cc(C2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661044 OBDepict CH 3 O OH + N NH O _ O O N S N IC50 = 24.0 nM 438.47 CCOc1cc(C2NC(=O)N=C(c3cccnc3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4279145 OBDepict H 3 C N N N H N N N IC50 = 26.0 nM 302.34 Cc1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661049 OBDepict H 3 C O HO HN O OH O N S N N CH 3 IC50 = 27.0 nM 440.48 CCOc1cc(C2NC(=O)N=C(c3cnn(C)c3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4281451 OBDepict F N N N Cl N H N N N IC50 = 27.0 nM 341.74 Fc1cc(-c2nnn[nH]2)ccc1-c1ncc(-n2ccnc2)cc1Cl Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661061 OBDepict CH 3 O OH + N H N H O _ O O N N IC50 = 28.0 nM 432.44 CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL3650417 OBDepict CH 3 O OH + N H N H O _ O O HN N IC50 = 28.0 nM 432.44 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3650419 OBDepict H 3 C O OH + N NH O _ O O HN IC50 = 29.0 nM 431.45 CCOc1cc(C2NC(=O)NC(c3ccccc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661041 OBDepict H 3 C O OH + N NH O _ O O N IC50 = 29.0 nM 431.45 CCOc1cc(C2NC(=O)N=C(c3ccccc3)C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4282722 OBDepict F O OH N N IC50 = 29.0 nM 282.27 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(F)c1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4285078 OBDepict H 3 C O OH N N IC50 = 29.0 nM 278.31 Cc1cc(C(=O)O)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4292916 OBDepict Cl O OH N N IC50 = 30.0 nM 298.73 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(Cl)c1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4279294 OBDepict H N N N N N N N IC50 = 32.0 nM 289.3 c1cn(-c2ccc(-c3ccc(-c4nnn[nH]4)cc3)nc2)cn1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650430 OBDepict CH 3 O OH + N H NH O _ O O N H S N N H 3 C IC50 = 35.0 nM 441.47 CCOc1cc([C@@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661053 OBDepict H 3 C O HO + N N O _ O O NH S N N CH 3 IC50 = 35.0 nM 441.47 CCOc1cc(C2=NC(=O)NC(c3ccn(C)n3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4283715 OBDepict CH 3 N N F N O OH IC50 = 36.0 nM 297.29 Cc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1F Homo sapiens CHEMBL4260538 single protein format
CHEMBL4282612 OBDepict Cl N N N H N N CH 3 N IC50 = 37.0 nM 336.79 Cc1nccn1-c1ccc(-c2ccc(-c3nnn[nH]3)cc2Cl)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4281650 OBDepict OH O F F F N N IC50 = 38.0 nM 332.28 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(C(F)(F)F)c1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661055 OBDepict O HN N N N HO S CH 3 O OH IC50 = 39.0 nM 396.43 Cn1ccc(C2=NC(=O)NC(c3ccc(C(=O)O)c(O)c3)C2c2ccsc2)n1 Homo sapiens CHEMBL3705329 single protein format
CHEMBL4285208 OBDepict H N N N N F F F N N IC50 = 39.0 nM 356.31 FC(F)(F)c1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650429 OBDepict H 3 C O HO + N HN O _ O O NH S N N CH 3 IC50 = 40.0 nM 441.47 CCOc1cc(C2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661045 OBDepict H 3 C O HO + N HN O _ O O N S N N CH 3 IC50 = 40.0 nM 441.47 CCOc1cc(C2NC(=O)N=C(c3ccn(C)n3)C2c2ccsc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4290901 OBDepict CH 3 N N N O OH IC50 = 41.0 nM 279.3 Cc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3650421 OBDepict H 3 C O OH + N NH O _ O O HN N IC50 = 43.0 nM 432.44 CCOc1cc(C2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL3661043 OBDepict H 3 C O OH + N NH O _ O O N N IC50 = 43.0 nM 432.44 CCOc1cc(C2NC(=O)N=C(c3cccnc3)C2c2ccccc2)cc([N+](=O)[O-])c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4293362 OBDepict H 3 C N N N N H N N N IC50 = 44.0 nM 303.33 Cc1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cn1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4289534 OBDepict Cl N N O OH IC50 = 59.0 nM 298.73 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2Cl)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4282535 OBDepict CH 3 N N F N N N N H N IC50 = 62.0 nM 335.35 CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nnn[nH]2)cc1F Homo sapiens CHEMBL4260538 single protein format
CHEMBL4279860 OBDepict OH O N N IC50 = 62.0 nM 264.28 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4277997 OBDepict CH 3 N N N N N N H N IC50 = 66.0 nM 317.36 CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661047 OBDepict CH 3 O OH H NH O HO O N S N IC50 = 67.0 nM 437.48 CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL3650423 OBDepict CH 3 O OH H NH O HO O HN S N IC50 = 67.0 nM 439.49 CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL4293137 OBDepict H N N N N N N N IC50 = 74.0 nM 371.45 c1cn(-c2cnc(-c3ccc(-c4nnn[nH]4)cc3)c(C3CCCCC3)c2)cn1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4280261 OBDepict Cl N N N O OH IC50 = 89.0 nM 299.72 O=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4294284 OBDepict H 3 C N N N N N H N IC50 = 97.0 nM 302.34 Cc1nccn1-c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661048 OBDepict CH 3 O OH NH O HO O N S N IC50 = 150.0 nM 437.48 CCOc1cc(C2NC(=O)N=C(c3cccnc3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL3650422 OBDepict CH 3 O OH NH O HO O HN S N IC50 = 150.0 nM 439.49 CCOc1cc(C2NC(=O)NC(c3cccnc3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3706121 cell-based format
CHEMBL4286678 OBDepict O O N N H N N IC50 = 152.0 nM 304.31 O=c1nc(-c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)[nH]o1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4291013 OBDepict OH O N N N IC50 = 214.0 nM 265.27 O=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4282751 OBDepict Cl N N N N H N N N IC50 = 308.0 nM 323.75 Clc1cc(-c2nnn[nH]2)ccc1-c1ccc(-n2ccnc2)cn1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL3661052 OBDepict CH 3 O OH H NH O HO O N S N N H 3 C IC50 = 580.0 nM 440.48 CCOc1cc([C@H]2NC(=O)N=C(c3cnn(C)c3)C2c2ccsc2)cc(C(=O)O)c1O Homo sapiens CHEMBL3705329 single protein format
CHEMBL4286106 OBDepict H N N N N Cl N N N IC50 = 593.0 nM 323.75 Clc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2cnnc2)cc1 Homo sapiens CHEMBL4260538 single protein format
CHEMBL4285927 OBDepict H 3 C N N N Cl N H N N N IC50 = 935.0 nM 337.77 Cc1cc(-c2nnn[nH]2)ccc1-c1ncc(-n2ccnc2)cc1Cl Homo sapiens CHEMBL4260538 single protein format