Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50134036
Substrate
n/a
Meas. Tech.
ChEMBL_942524 (CHEMBL2346179)
IC50
>100000±n/a nM
Citation
 Heinrich, DMFlanagan, JUJamieson, SMSilva, SRigoreau, LJTrivier, ERaynham, TTurnbull, APDenny, WA Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. Eur J Med Chem 62:738-44 (2013) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C4
Synonyms:
3-alpha-HSD1 | 3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4) | 3-alpha-hydroxysteroid dehydrogenase type I | AK1C4_HUMAN | AKR1C4 | Aldo-keto reductase family 1 member C4 | Aldo-keto reductase family 1 member C4 (AK1C4) | CDR | CHDR | Chlordecone reductase | DD-4 | DD4 | Dihydrodiol dehydrogenase 4 | HAKRA
Type:
Enzyme
Mol. Mass.:
37068.40
Organism:
Homo sapiens (Human)
Description:
P17516
Residue:
323
Sequence:
MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY
  
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:
Search PDB for entries with ligand similarity: