Target
Prostaglandin E synthase
Ligand
BDBM451409
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
0.480±n/a nM
Citation
 Okada, MNakano, YNose, TNishimoto, TMaeda, S Pyrimidine derivative US Patent  US10710967 Publication Date 7/14/2020 
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:
BDBM451409
Synonyms:
US10710967, Example 3
Type:
Small organic molecule
Emp. Form.:
C20H17ClN4O2S
Mol. Mass.:
412.893
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccsc2)c(C#N)c(=O)[nH]1
Structure:
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