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P30838 | AL3A1_HUMAN | "Aldehyde dehydrogenase, dimeric NADP-preferring" (ALDH3A1)

3D structures mapped by conservation among orthologs

[ Domain: "ALDH-like" // Aldedh_2nd ]

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[ Domain: "ALDH-like" // Aldedh_1st_1 ]

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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
CHEMBL4745360 OBDepict NH 2 S HN N O O Br Br BrH IC50 = 193.0 nM 564.1 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL1378094 OBDepict F S N O O CH 3 N Ki = 200.0 nM 290.32 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL3118126 single protein format
CHEMBL1378094 OBDepict F S N O O CH 3 N IC50 = 200.0 nM 290.32 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL3118331 single protein format
CHEMBL4754311 OBDepict NH 2 S HN N O O Br F BrH IC50 = 219.0 nM 503.19 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4777582 OBDepict NH 2 S HN N O O Cl Cl BrH IC50 = 219.0 nM 475.2 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4753971 OBDepict NH 2 S HN N O O F BrH IC50 = 241.0 nM 424.3 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4791741 OBDepict NH 2 Se HN N O O F BrH IC50 = 246.0 nM 471.19 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(F)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4755837 OBDepict NH 2 S NH N O O F F F BrH IC50 = 246.0 nM 474.3 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cccc(C(F)(F)F)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4763602 OBDepict NH 2 Se NH N O O F F F BrH IC50 = 251.0 nM 521.2 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(C(F)(F)F)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL3112681 OBDepict Cl S N O O CH 3 N IC50 = 300.0 nM 306.77 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3118331 single protein format
CHEMBL3128211 OBDepict O N O N N O O IC50 = 300.0 nM 379.42 O=C1C(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL1453099 OBDepict O N O IC50 = 310.0 nM 263.3 O=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL4752256 OBDepict NH 2 Se HN N O O Cl Cl BrH IC50 = 327.0 nM 522.09 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4755996 OBDepict NH 2 Se HN N O O Br BrH IC50 = 344.0 nM 532.09 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL4742685 OBDepict H 2 N S NH N O O F F F BrH IC50 = 360.0 nM 474.3 Br.N=C(N)SCc1ccc(CN2C(=O)C(=O)c3cc(C(F)(F)F)ccc32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL3128208 OBDepict CH 3 Br N H O O IC50 = 360.0 nM 240.06 Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 Homo sapiens CHEMBL3130564 assay format
CHEMBL4764389 OBDepict NH 2 Se HN N O O Br F BrH IC50 = 368.0 nM 550.08 Br.N=C(N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c32)cc1 Homo sapiens CHEMBL4708028 single protein format
CHEMBL3128208 OBDepict CH 3 Br N H O O Ki = 380.0 nM 240.06 Cc1cc(Br)c2c(c1)C(=O)C(=O)N2 Homo sapiens CHEMBL3128577 single protein format
CHEMBL3128209 OBDepict H 3 C N O O IC50 = 420.0 nM 217.27 CCCCCN1C(=O)C(=O)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL3128205 OBDepict O N O IC50 = 450.0 nM 251.28 O=C1C(=O)N(CCc2ccccc2)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL1328547 OBDepict O N O IC50 = 460.0 nM 265.31 O=C1C(=O)N(CCCc2ccccc2)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL1411903 OBDepict H 3 C S N O O CH 3 N IC50 = 700.0 nM 286.36 Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 Homo sapiens CHEMBL3118331 single protein format
CHEMBL3112688 OBDepict Cl H 3 C S N O O CH 3 N IC50 = 700.0 nM 320.8 Cc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Cl Homo sapiens CHEMBL3118331 single protein format
CHEMBL3112689 OBDepict H 3 C O Cl S N O O CH 3 N IC50 = 900.0 nM 336.8 COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Cl Homo sapiens CHEMBL3118331 single protein format
CHEMBL1308268 OBDepict H 3 C O F S N O O CH 3 N IC50 = 900.0 nM 320.35 COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F Homo sapiens CHEMBL3118331 single protein format
CHEMBL3128204 OBDepict O N O N N IC50 = 930.0 nM 335.41 O=C1C(=O)N(CN2CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL3130564 assay format
CHEMBL1492620 OBDepict Cl S N O O N O CH 3 IC50 = 1000.0 nM 334.78 CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3118331 single protein format