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Target
Prostaglandin E synthase
Ligand
BDBM50227631
Substrate
n/a
Meas. Tech.
ChEMBL_1495512 (CHEMBL3579896)
IC50
1590±n/a nM
Citation
 Luz, JG; Antonysamy, S; Kuklish, SL; Condon, B; Lee, MR; Allison, D; Yu, XP; Chandrasekhar, S; Backer, R; Zhang, A; Russell, M; Chang, SS; Harvey, A; Sloan, AV; Fisher, MJ Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J Med Chem 58:4727-37 (2015) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM50227631
Synonyms:
2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile | CHEMBL412099
Type:
Small organic molecule
Emp. Form.:
C23H11ClN4
Mol. Mass.:
378.813
SMILES:
Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Structure:
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