Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM50029207
Substrate
n/a
Meas. Tech.
ChEMBL_821629 (CHEMBL2038584)
IC50
13000±n/a nM
Citation
 Endo, S; Matsunaga, T; Kanamori, A; Otsuji, Y; Nagai, H; Sundaram, K; El-Kabbani, O; Toyooka, N; Ohta, S; Hara, A Selective inhibition of human type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3) by baccharin, a component of Brazilian propolis. J Nat Prod 75:716-21 (2012) [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:
BDBM50029207
Synonyms:
phenethyl 3-(3,4-dihydroxyphenyl)acrylate | caffeic acid phenylethyl ester | caffeic acid phenethylester | (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | caffeic acid phenylethylester | caffeic acidphenethylester | 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | phenethyl caffeate | (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate | caffeic acid phenethyl ester | CHEMBL319244 | CAPE
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O
Structure:
Search PDB for entries with ligand similarity: