Reaction Details |
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Target | Aldo-keto reductase family 1 member C2 |
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Ligand | BDBM50396700 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_864145 (CHEMBL2175094) |
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IC50 | >30000±n/a nM |
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Citation | Jamieson, SM; Brooke, DG; Heinrich, D; Atwell, GJ; Silva, S; Hamilton, EJ; Turnbull, AP; Rigoreau, LJ; Trivier, E; Soudy, C; Samlal, SS; Owen, PJ; Schroeder, E; Raynham, T; Flanagan, JU; Denny, WA 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase AKR1C3. J Med Chem55:7746-58 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member C2 |
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Name: | Aldo-keto reductase family 1 member C2 |
Synonyms: | 3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | DDH2 | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 36739.89 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 323 |
Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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BDBM50396700 |
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n/a |
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Name | BDBM50396700 |
Synonyms: | CHEMBL2172076 |
Type | Small organic molecule |
Emp. Form. | C19H20N2O3S |
Mol. Mass. | 356.439 |
SMILES | O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 |
Structure |
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