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P17516 | AK1C4_HUMAN | Aldo-keto reductase family 1 member C4 (AKR1C4)

3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // Aldo_ket_red ]

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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
CHEMBL2323508 OBDepict CH 3 N O O O HO CH 3 Cl IC50 = 1.95 nM 385.85 CCc1c(CCC(=O)O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Homo sapiens CHEMBL3888494 single protein format
CHEMBL2323522 OBDepict H 3 C O N O O OH Cl IC50 = 3.15 nM 383.83 COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCC(C(=O)O)C1 Homo sapiens CHEMBL3888494 single protein format
CHEMBL2323507 OBDepict H 3 C O N H 3 C O O OH Cl IC50 = 3.51 nM 371.82 COc1ccc2c(c1)c(C)c(CCC(=O)O)n2C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3888494 single protein format
CHEMBL2323511 OBDepict CH 3 O N H 3 C O HN O S Cl O O H 3 C IC50 = 12.64 nM 448.93 COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3888494 single protein format
CHEMBL503179 OBDepict H 3 C O N O O OH Cl IC50 = 48.7 nM 343.77 COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3888494 single protein format
CHEMBL2323472 OBDepict Cl N O CH 3 O HO O H 3 C IC50 = 49.75 nM 371.82 COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(CCl)cc1 Homo sapiens CHEMBL3888494 single protein format
CHEMBL4089817 OBDepict F N H O O O OH IC50 = 350.0 nM 341.34 O=C(NCCCc1ccc(F)cc1)c1cc2ccc(O)cc2oc1=O Homo sapiens CHEMBL4020435 single protein format
CHEMBL4081954 OBDepict OH N H O O O OH IC50 = 820.0 nM 339.35 O=C(NCCCc1ccc(O)cc1)c1cc2ccc(O)cc2oc1=O Homo sapiens CHEMBL4020435 single protein format