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Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM50134036
Substrate
n/a
Meas. Tech.
ChEMBL_864306 (CHEMBL2175577)
Ki
220±n/a nM
Citation
 Brožic, P; Turk, S; Adeniji, AO; Konc, J; Janežic, D; Penning, TM; Lanišnik Rižner, T; Gobec, S Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library. J Med Chem 55:7417-24 (2012) [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:
BDBM50134036
Synonyms:
2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3-Dimethyl-phenylamino)-benzoic acid(Mefenamic acid) | 2-(2,3-dimethylphenylamino)benzoic acid | CHEMBL686 | CI-473 | CN-35355 | INF-3355 | MEFENAMIC ACID | Ponstel | cid_4044 | mefanamic acid
Type:
Small organic molecule
Emp. Form.:
C15H15NO2
Mol. Mass.:
241.2851
SMILES:
Cc1cccc(Nc2ccccc2C(O)=O)c1C
Structure:
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