Reaction Details |
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Target | Aldo-keto reductase family 1 member C1 |
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Ligand | BDBM50158460 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_498205 (CHEMBL980737) |
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IC50 | 48±n/a nM |
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Citation | El-Kabbani, O; Scammells, PJ; Gosling, J; Dhagat, U; Endo, S; Matsunaga, T; Soda, M; Hara, A Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). J Med Chem52:3259-64 (2009) [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 C1 |
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Name: | Aldo-keto reductase family 1 member C1 |
Synonyms: | 20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 36793.97 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant AKR1C1 enzyme was expressed in E. coli. |
Residue: | 323 |
Sequence: | MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPV
SVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY
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BDBM50158460 |
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n/a |
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Name | BDBM50158460 |
Synonyms: | (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone | 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran | 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone | Benzbromarone | CHEMBL388590 | US9725430, Compound 1 | US9856239, benzbromarone | US9962362, Compound 1 | Uroleap (TN) | cid_2333 |
Type | Small organic molecule |
Emp. Form. | C17H12Br2O3 |
Mol. Mass. | 424.083 |
SMILES | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 |
Structure |
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