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Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50385688
Substrate
n/a
Meas. Tech.
ChEMBL_823521 (CHEMBL2045964)
IC50
20400±n/a nM
Citation
 Adeniji, AO; Twenter, BM; Byrns, MC; Jin, Y; Chen, M; Winkler, JD; Penning, TM Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17ß-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships. J Med Chem 55:2311-23 (2012) [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:
BDBM50385688
Synonyms:
CHEMBL2041556
Type:
Small organic molecule
Emp. Form.:
C14H12N2O5
Mol. Mass.:
288.2555
SMILES:
COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O
Structure:
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