Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50061981
Substrate
n/a
Meas. Tech.
ChEMBL_1462105 (CHEMBL3396812)
IC50
1400±n/a nM
Citation
 Terracciano, S; Lauro, G; Strocchia, M; Fischer, K; Werz, O; Riccio, R; Bruno, I; Bifulco, G Structural Insights for the Optimization of Dihydropyrimidin-2(1H)-one Based mPGES-1 Inhibitors. ACS Med Chem Lett 6:187-91 (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:
BDBM50061981
Synonyms:
CHEMBL3394322
Type:
Small organic molecule
Emp. Form.:
C24H19F3N2O4
Mol. Mass.:
456.4139
SMILES:
CC1=C(C(NC(=O)N1)c1ccc(o1)-c1cccc(c1)C(F)(F)F)C(=O)OCc1ccccc1 |t:1|
Structure:
Search PDB for entries with ligand similarity: