Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C1
LigandBDBM50330426
Substrate/Competitorn/a
Meas. Tech.ChEMBL_684688 (CHEMBL1285655)
IC50 300±n/a nM
Citation El-Kabbani, OScammells, PJDay, TDhagat, UEndo, SMatsunaga, TSoda, MHara, A Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors. Eur J Med Chem45:5309-17 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member C1
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50330426
n/a
NameBDBM50330426
Synonyms:5-Fluoro-4-hydroxybiphenyl-3-carboxylic acid | CHEMBL1275725
TypeSmall organic molecule
Emp. Form.C13H9FO3
Mol. Mass.232.2072
SMILESOC(=O)c1cc(cc(F)c1O)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: