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Target
Prostaglandin E synthase
Ligand
BDBM50140686
Substrate
n/a
Meas. Tech.
ChEMBL_1548641 (CHEMBL3757641)
IC50
8500±n/a nM
Citation
 Di Micco, S; Spatafora, C; Cardullo, N; Riccio, R; Fischer, K; Pergola, C; Koeberle, A; Werz, O; Chalal, M; Vervandier-Fasseur, D; Tringali, C; Bifulco, G 2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors. Bioorg Med Chem 24:820-6 (2016) [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:
BDBM50140686
Synonyms:
CHEMBL538661
Type:
Small organic molecule
Emp. Form.:
C20H18O8
Mol. Mass.:
386.3521
SMILES:
COC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OC |r|
Structure:
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