| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C2 |
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| Ligand | BDBM50430723 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_942521 (CHEMBL2346176) |
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| IC50 | >30000±n/a nM |
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| Citation |  Heinrich, DM; Flanagan, JU; Jamieson, SM; Silva, S; Rigoreau, LJ; Trivier, E; Raynham, T; Turnbull, AP; Denny, WA Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur J Med Chem62:738-44 (2013) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 36739.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 323 |
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| Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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| BDBM50430723 |
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| n/a |
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| Name | BDBM50430723 |
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| Synonyms: | CHEMBL2333924 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H22N2O4S2 |
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| Mol. Mass. | 358.476 |
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| SMILES | CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCS1(=O)=O |
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| Structure | 
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