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TargetAldo-keto reductase family 1 member C1
LigandBDBM26269
Substrate/CompetitorBDBM26270
Meas. Tech.Assay of Enzyme Activity
pH7.4±n/a
Temperature298.15±n/a K
Ki 5.9±0.8 nM
Citation Dhagat, UEndo, SSumii, RHara, AEl-Kabbani, O Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid. J Med Chem51:4844-8 (2008) [PubMed]  Article
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Aldo-keto reductase family 1 member C1
Name:Aldo-keto reductase family 1 member C1
Synonyms:20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (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 | 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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BDBM26269
NameBDBM26269
Synonyms:3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichlorosalicylic acid | CHEMBL449129
TypeSmall organic molecule
Emp. Form.C7H4Cl2O3
Mol. Mass.207.011
SMILESOC(=O)c1cc(Cl)cc(Cl)c1O
Structure
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BDBM26270
NameBDBM26270
Synonyms:(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol | 5Beta-pregnane-3alpha,20alpha-diol | pregnanediol
TypeSteroid
Emp. Form.C21H36O2
Mol. Mass.320.5093
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O
Structure
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