Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM50337283
Substrate
n/a
Meas. Tech.
ChEMBL_726381 (CHEMBL1687513)
IC50
15000±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 C2
Synonyms:
3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | DDH2 | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase
Type:
Enzyme
Mol. Mass.:
36739.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50337283
Synonyms:
3-[N-(4-trifluoromethylphenyl)amino]benzoic acid | CHEMBL1682202 | US9271961, 7
Type:
Small organic molecule
Emp. Form.:
C14H10F3NO2
Mol. Mass.:
281.2299
SMILES:
OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity: