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Target
Prostaglandin E synthase
Ligand
BDBM50227631
Substrate
n/a
Meas. Tech.
ChEMBL_933843 (CHEMBL2321397)
IC50
1.000000±n/a nM
Citation
 Kablaoui, N; Patel, S; Shao, J; Demian, D; Hoffmaster, K; Berlioz, F; Vazquez, ML; Moore, WM; Nugent, RA Novel benzoxazole inhibitors of mPGES-1. Bioorg Med Chem Lett 23:907-11 (2013) [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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