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P20839 | IMDH1_HUMAN | Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1)

3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // IMPDH_1st ]

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[ Domain: "CBS-domain" // IMPDH_2nd ]

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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
CHEMBL3098168 OBDepict CH 3 O CH 3 OH O CH 3 O N H O H O OH N H Ki = 32.0 nM 506.56 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL208921 OBDepict CH 3 CH 3 OH O H 3 C O HN P O OH HO IC50 = 37.0 nM 383.38 CCc1c(C)c2c(c(O)c1C/C=C(C)CNCCP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865551 single protein format
CHEMBL209069 OBDepict H 3 C H 3 C OH O CH 3 O O P O OH OH IC50 = 38.0 nM 370.34 CCc1c(C)c2c(c(O)c1C/C=C(C)COCP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865551 single protein format
CHEMBL866 OBDepict CH 3 O CH 3 OH O CH 3 O O OH Ki = 40.0 nM 320.34 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL698516 single protein format
CHEMBL152988 OBDepict CH 3 O N O N OH H 3 C IC50 = 46.0 nM 332.36 COc1cc2nc(-c3ccc(C)cc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL65013 OBDepict CH 3 O HN O N N H O CH 3 IC50 = 55.0 nM 323.35 COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL347721 OBDepict CH 3 O N O N OH S IC50 = 55.0 nM 324.36 COc1cc2nc(-c3ccsc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL866 OBDepict CH 3 O CH 3 OH O CH 3 O O OH IC50 = 55.0 nM 320.34 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL698514 single protein format
CHEMBL3098165 OBDepict CH 3 O CH 3 OH O CH 3 O N H O H O OH N H Ki = 56.0 nM 506.56 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL238461 OBDepict HO NH O CH 3 O OH H 3 C CH 3 O O Ki = 70.0 nM 335.36 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)NO)C(=O)OC2 Homo sapiens CHEMBL902633 single protein format
CHEMBL428633 OBDepict H 3 C H 3 C OH O CH 3 O P O OH OH IC50 = 71.0 nM 340.31 CCc1c(C)c2c(c(O)c1C/C=C(C)CP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL865551 single protein format
CHEMBL358876 OBDepict CH 3 O N O N OH H 3 C H 3 C IC50 = 83.0 nM 346.39 COc1cc2nc(-c3ccc(C)c(C)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL152959 OBDepict H 3 C O N O N OH O CH 3 IC50 = 90.0 nM 348.36 COc1ccc(-c2cc(O)c3cc(-c4cnco4)c(OC)cc3n2)cc1 Homo sapiens CHEMBL698514 single protein format
CHEMBL23843 OBDepict CH 3 O N O N OH IC50 = 99.0 nM 318.33 COc1cc2nc(-c3ccccc3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL2418580 OBDepict CH 3 O CH 3 HO O CH 3 O NH O N N H N IC50 = 105.0 nM 386.41 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)Nc1ncn[nH]1)C(=O)OC2 Homo sapiens CHEMBL2422864 single protein format
CHEMBL2437272 OBDepict CH 3 O CH 3 OH O CH 3 O N H O H O OH CH 3 CH 3 Ki = 132.0 nM 419.47 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@H](C(=O)O)C(C)C)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL3098167 OBDepict CH 3 O O NH H O N H CH 3 O OH H 3 C H 3 C O O Ki = 144.0 nM 520.58 COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O Homo sapiens CHEMBL3101581 single protein format
CHEMBL150777 OBDepict CH 3 O N O N OH H 3 C IC50 = 150.0 nM 332.36 COc1cc2nc(-c3cccc(C)c3)cc(O)c2cc1-c1cnco1 Homo sapiens CHEMBL698514 single protein format
CHEMBL132727 OBDepict OH O CH 3 OH OH CH 3 O O IC50 = 150.0 nM 306.31 C/C(=CCc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O Homo sapiens CHEMBL1292995 assay format
CHEMBL23716 OBDepict CH 3 O N O H N O S IC50 = 160.0 nM 374.42 COc1cc2[nH]c(-c3csc4ccccc34)c(C=O)c2cc1-c1cnco1 Homo sapiens CHEMBL615265 single protein format
CHEMBL3098180 OBDepict H 3 C O H 3 C OH O CH 3 O O O H O H HO H N H OH N N N NH 2 Ki = 163.0 nM 569.57 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL3098182 OBDepict H 3 C O H 3 C OH O CH 3 O N H O H O H HO H N H OH N N N NH 2 Ki = 265.0 nM 568.59 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)NC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL238461 OBDepict HO NH O CH 3 O OH H 3 C CH 3 O O IC50 = 350.0 nM 335.36 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)NO)C(=O)OC2 Homo sapiens CHEMBL1292995 assay format
CHEMBL392178 OBDepict OH NH O CH 3 O OH H 3 C CH 3 O O Ki = 400.0 nM 349.38 COc1c(C)c2c(c(O)c1C/C=C(C)CCCC(=O)NO)C(=O)OC2 Homo sapiens CHEMBL902633 single protein format
CHEMBL2437258 OBDepict CH 3 O O HN O CH 3 O OH CH 3 CH 3 O O Ki = 522.0 nM 391.42 COC(=O)CNC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O Homo sapiens CHEMBL3101581 single protein format
CHEMBL2418585 OBDepict CH 3 O CH 3 HO O CH 3 O NH O H O IC50 = 558.0 nM 361.39 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@@H]1CO1)C(=O)OC2 Homo sapiens CHEMBL2422864 single protein format
CHEMBL2418586 OBDepict CH 3 O CH 3 HO O CH 3 O NH O H O IC50 = 680.0 nM 361.39 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@H]1CO1)C(=O)OC2 Homo sapiens CHEMBL2422864 single protein format
CHEMBL3098164 OBDepict CH 3 O O NH H O N H CH 3 O OH H 3 C H 3 C O O Ki = 733.0 nM 520.58 COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O Homo sapiens CHEMBL3101581 single protein format
CHEMBL157617 OBDepict OH CH 3 O OH CH 3 CH 3 O O IC50 = 770.0 nM 306.36 COc1c(C)c2c(c(O)c1C/C=C(C)CCCO)C(=O)OC2 Homo sapiens CHEMBL1292995 assay format
CHEMBL2437254 OBDepict CH 3 O CH 3 HO O H 3 C O N H O H O HO Ki = 854.0 nM 467.52 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL162782 OBDepict CH 3 O CH 3 OH O O P O O OH P O HO OH Ki = 890.0 nM 396.23 COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)O)C(=O)OC2 Homo sapiens CHEMBL698516 single protein format
CHEMBL2437269 OBDepict CH 3 O CH 3 OH O CH 3 O HN O O OH Ki = 892.0 nM 377.39 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)NCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL3098176 OBDepict CH 3 O CH 3 HO O CH 3 O N O H O OH Ki = 906.0 nM 417.46 COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)N1CCC[C@H]1C(=O)O)C(=O)OC2 Homo sapiens CHEMBL3101581 single protein format
CHEMBL424363 OBDepict CH 3 O CH 3 OH O O O HO IC50 = 940.0 nM 308.33 COc1c(C)c2c(c(O)c1CCCCCC(=O)O)C(=O)OC2 Homo sapiens CHEMBL697169 single protein format