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Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50024764
Substrate
n/a
Meas. Tech.
ChEMBL_1438120 (CHEMBL3388495)
IC50
20000±n/a nM
Citation
 Endo, S; Hu, D; Matsunaga, T; Otsuji, Y; El-Kabbani, O; Kandeel, M; Ikari, A; Hara, A; Kitade, Y; Toyooka, N Synthesis of non-prenyl analogues of baccharin as selective and potent inhibitors for aldo-keto reductase 1C3. Bioorg Med Chem 22:5220-33 (2014) [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:
BDBM50024764
Synonyms:
CHEMBL3337721
Type:
Small organic molecule
Emp. Form.:
C25H22O6
Mol. Mass.:
418.4386
SMILES:
OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1
Structure:
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