Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM50337281
Substrate
n/a
Meas. Tech.
ChEMBL_726380 (CHEMBL1687512)
IC50
36±n/a nM
Citation
 Adeniji, AOTwenter, BMByrns, MCJin, YWinkler, JDPenning, TM Discovery of substituted 3-(phenylamino)benzoic acids as potent and selective inhibitors of type 5 17ß-hydroxysteroid dehydrogenase (AKR1C3). Bioorg Med Chem Lett 21:1464-8 (2011) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C3
Synonyms:
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:
Enzyme
Mol. Mass.:
36859.86
Organism:
Homo sapiens (Human)
Description:
P42330
Residue:
323
Sequence:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYSDEY
  
Inhibitor
Name:
BDBM50337281
Synonyms:
3-[N-(4-nitrophenyl)amino]benzoic acid | CHEMBL1682200 | US9271961, 5
Type:
Small organic molecule
Emp. Form.:
C13H10N2O4
Mol. Mass.:
258.2295
SMILES:
OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1
Structure:
Search PDB for entries with ligand similarity: