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Target
Prostaglandin E synthase
Ligand
BDBM50532250
Substrate
n/a
Meas. Tech.
ChEMBL_1922244 (CHEMBL4425200)
IC50
0.100000±n/a nM
Citation
 Koeberle, A; Laufer, SA; Werz, O Design and Development of Microsomal Prostaglandin E2 Synthase-1 Inhibitors: Challenges and Future Directions. J Med Chem 59:5970-86 (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:
BDBM50532250
Synonyms:
CHEMBL4444875
Type:
Small organic molecule
Emp. Form.:
C27H27ClF5N5O3
Mol. Mass.:
599.98
SMILES:
Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12
Structure:
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