Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50029207
Substrate
n/a
Meas. Tech.
ChEMBL_2014957 (CHEMBL4668535)
IC50
8250±n/a nM
Citation
 Liu, Y; He, S; Chen, Y; Liu, Y; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Overview of AKR1C3: Inhibitor Achievements and Disease Insights. J Med Chem 63:11305-11329 (2020) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C4
Synonyms:
3-alpha-HSD1 | 3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4) | 3-alpha-hydroxysteroid dehydrogenase type I | AK1C4_HUMAN | AKR1C4 | Aldo-keto reductase family 1 member C4 | Aldo-keto reductase family 1 member C4 (AK1C4) | CDR | CHDR | Chlordecone reductase | DD-4 | DD4 | Dihydrodiol dehydrogenase 4 | HAKRA
Type:
Enzyme
Mol. Mass.:
37068.40
Organism:
Homo sapiens (Human)
Description:
P17516
Residue:
323
Sequence:
MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY
  
Inhibitor
Name:
BDBM50029207
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester | CAPE | CHEMBL319244 | caffeic acid phenethyl ester | caffeic acid phenethylester | caffeic acid phenylethyl ester | caffeic acid phenylethylester | caffeic acidphenethylester | phenethyl 3-(3,4-dihydroxyphenyl)acrylate | phenethyl caffeate
Type:
Small organic molecule
Emp. Form.:
C17H16O4
Mol. Mass.:
284.3065
SMILES:
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Structure:
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