Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C1
LigandBDBM50219490
Substrate/Competitorn/a
Meas. Tech.ChEMBL_684679
Ki 4.1±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 Chem 45:5309-17 (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) | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50219490
n/a
NameBDBM50219490
Synonyms:3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxybiphenyl-3-carboxylic acid | CHEMBL387536
TypeSmall organic molecule
Emp. Form.C13H9BrO3
Mol. Mass.293.113
SMILESOC(=O)c1cc(cc(Br)c1O)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: