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Target
Prostaglandin E synthase
Ligand
BDBM50394748
Substrate
n/a
Meas. Tech.
ChEMBL_859392 (CHEMBL2167298)
IC50
7600±n/a nM
Citation
 Wu, Y; He, C; Gao, Y; He, S; Liu, Y; Lai, L Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. J Med Chem 55:2597-605 (2012) [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:
BDBM50394748
Synonyms:
CHEMBL2163347
Type:
Small organic molecule
Emp. Form.:
C17H10N2O6
Mol. Mass.:
338.2711
SMILES:
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12
Structure:
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