Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50543405
Substrate
n/a
Meas. Tech.
ChEMBL_1989083 (CHEMBL4622630)
IC50
>10000±n/a nM
Citation
 Endo, SOguri, HSegawa, JKawai, MHu, DXia, SOkada, TIrie, KFujii, SGouda, HIguchi, KMatsukawa, TFujimoto, NNakayama, TToyooka, NMatsunaga, TIkari, A Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J Med Chem 63:10396-10411 (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:
BDBM50543405
Synonyms:
CHEMBL4639417
Type:
Small organic molecule
Emp. Form.:
C16H11ClN2O3
Mol. Mass.:
314.723
SMILES:
Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12
Structure:
Search PDB for entries with ligand similarity: