Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM50427625
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
57±n/a nM
Citation
 Marnett, LJ; Liedtke, AJ; Penning, TM; Adeniji, AO; Byrns, MC Indomethacin analogs for the treatment of castrate-resistant prostate cancer US Patent  US9346803 Publication Date 5/24/2016 
Target
Name:
Aldo-keto reductase family 1 member C2
Synonyms:
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | Chlordecone reductase homolog HAKRD | Aldo-keto reductase family 1 member C2 (AK1C2) | 3-alpha-HSD3 | Dihydrodiol dehydrogenase 2 | Type III 3-alpha-hydroxysteroid dehydrogenase | Aldo-keto reductase family 1 member C2 (AK1C2a) | DD-2 | DD/BABP | Dihydrodiol dehydrogenase/bile acid-binding protein | Aldo-keto reductase family 1 member C2 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | DDH2
Type:
Enzyme
Mol. Mass.:
36739.89
Organism:
Human
Description:
n/a
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50427625
Synonyms:
CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]propanoic acid
Type:
Small organic molecule
Emp. Form.:
C20 H18 Cl N O4
Mol. Mass.:
371.81
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1
Structure:
Search PDB for entries with ligand similarity: