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Target
Prostaglandin E synthase
Ligand
BDBM50430943
Substrate
n/a
Meas. Tech.
ChEMBL_945919 (CHEMBL2340533)
IC50
4.0±n/a nM
Citation
 He, S; Li, C; Liu, Y; Lai, L Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen. J Med Chem 56:3296-309 (2013) [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:
BDBM50430943
Synonyms:
CHEMBL2336515
Type:
Small organic molecule
Emp. Form.:
C32H25N3O3S
Mol. Mass.:
531.624
SMILES:
COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nc1-c1ccc(OC)cc1
Structure:
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