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Target
Prostaglandin E synthase
Ligand
BDBM31132
Substrate
n/a
Meas. Tech.
ChEMBL_1800827 (CHEMBL4273119)
IC50
6010±n/a nM
Citation
 Bruno, F; Errico, S; Pace, S; Nawrozkij, MB; Mkrtchyan, AS; Guida, F; Maisto, R; Olgaç, A; D'Amico, M; Maione, S; De Rosa, M; Banoglu, E; Werz, O; Fiorentino, A; Filosa, R Structural insight into the optimization of ethyl 5-hydroxybenzo[g]indol-3-carboxylates and their bioisosteric analogues as 5-LO/m-PGES-1 dual inhibitors able to suppress inflammation. Eur J Med Chem 155:946-960 (2018) [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:
BDBM31132
Synonyms:
5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11k
Type:
Small organic molecule
Emp. Form.:
C21H16ClNO3
Mol. Mass.:
365.81
SMILES:
CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
Structure:
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