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Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM26269
Substrate
n/a
Meas. Tech.
ChEMBL_498205 (CHEMBL980737)
IC50
6±n/a nM
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 Chem 52:3259-64 (2009) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C1
Synonyms:
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 20-alpha-HSD | Aldo-keto reductase family 1 member C1 (AK1C1a) | Chlordecone reductase homolog HAKRC | Aldo-keto reductase family 1 member C1 (AKR1C1) | Aldo-keto reductase family 1 member C1 (AK1C1) | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | High-affinity hepatic bile acid-binding protein | AK1C1_HUMAN | AKR1C1 | DDH | DDH1
Type:
Enzyme
Mol. Mass.:
36793.97
Organism:
Human
Description:
Recombinant AKR1C1 enzyme was expressed in E. coli.
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM26269
Synonyms:
3,5-dichloro-2-hydroxybenzoic acid | CHEMBL449129 | 3,5-dichlorosalicylic acid
Type:
Small organic molecule
Emp. Form.:
C7H4Cl2O3
Mol. Mass.:
205.95
SMILES:
c1c(cc(c(c1C(=O)O)O)Cl)Cl
Structure:
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