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Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50595592
Substrate
n/a
Meas. Tech.
ChEMBL_2217174 (CHEMBL5130306)
IC50
750±n/a nM
Citation
 He, S; Liu, Y; Chu, X; Li, Q; Lyu, W; Liu, Y; Xing, S; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Discovery of Novel Aldo-Keto Reductase 1C3 Inhibitors as Chemotherapeutic Potentiators for Cancer Drug Resistance. ACS Med Chem Lett 13:1286-1294 (2022) [PubMed] 
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:
BDBM50595592
Synonyms:
CHEMBL5179823
Type:
Small organic molecule
Emp. Form.:
C20H23NO6
Mol. Mass.:
373.3997
SMILES:
CCOc1ccc2OCC(Cc2c1)C(=O)N(C)Cc1cc(C(O)=O)c(C)o1
Structure:
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