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Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM50330431
Substrate
n/a
Meas. Tech.
ChEMBL_684679 (CHEMBL1285646)
Ki
2.1±n/a nM
Citation
 El-Kabbani, O; Scammells, PJ; Day, T; Dhagat, U; Endo, S; Matsunaga, T; Soda, M; Hara, A Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors. Eur J Med Chem 45:5309-17 (2010) [PubMed]  Article 
Target
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:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50330431
Synonyms:
4'-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic acid | CHEMBL1277647
Type:
Small organic molecule
Emp. Form.:
C17H17ClO3
Mol. Mass.:
304.768
SMILES:
CCCCc1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: