Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM17636
Substrate
n/a
Meas. Tech.
ChEMBL_1774822 (CHEMBL4231814)
IC50
530±n/a nM
Citation
 Pippione, AC; Carnovale, IM; Bonanni, D; Sini, M; Goyal, P; Marini, E; Pors, K; Adinolfi, S; Zonari, D; Festuccia, C; Wahlgren, WY; Friemann, R; Bagnati, R; Boschi, D; Oliaro-Bosso, S; Lolli, ML Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem 150:930-945 (2018) [PubMed]  Article 
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:
BDBM17636
Synonyms:
2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid | CHEMBL23588 | Nichisedan | Arlef | Flufenamic acid | US9271961, Flufenamic Acid | US20240002326, Compound Flufenamic acid
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: