Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM50382163
Substrate
n/a
Meas. Tech.
ChEMBL_2014927 (CHEMBL4668505)
IC50
24700±n/a nM
Citation
 Liu, Y; He, S; Chen, Y; Liu, Y; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Overview of AKR1C3: Inhibitor Achievements and Disease Insights. J Med Chem 63:11305-11329 (2020) [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:
BDBM50382163
Synonyms:
CHEMBL2023820
Type:
Small organic molecule
Emp. Form.:
C17H12N2O4
Mol. Mass.:
308.2882
SMILES:
OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1
Structure:
Search PDB for entries with ligand similarity: