Reaction Details |
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Target | Aldo-keto reductase family 1 member C2 |
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Ligand | BDBM34643 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_864306 (CHEMBL2175577) |
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Ki | 33000±n/a nM |
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Citation | Brožic, P; Turk, S; Adeniji, AO; Konc, J; Janežic, D; Penning, TM; Lanišnik Rižner, T; Gobec, S Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library. J Med Chem55:7417-24 (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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BDBM34643 |
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n/a |
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Name | BDBM34643 |
Synonyms: | 3-(2-carboxyethylamino)-2-naphthalenecarboxylic acid | 3-(2-carboxyethylamino)-2-naphthoic acid | 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid | 3-(3-hydroxy-3-oxopropylamino)naphthalene-2-carboxylic acid | MLS000104959 | SMR000054889 | cid_767169 |
Type | Small organic molecule |
Emp. Form. | C14H13NO4 |
Mol. Mass. | 259.2573 |
SMILES | OC(=O)CCNc1cc2ccccc2cc1C(O)=O |
Structure |
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