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Target
Prostaglandin E synthase
Ligand
BDBM50297887
Substrate
n/a
Meas. Tech.
ChEMBL_748820 (CHEMBL1781668)
IC50
1700±n/a nM
Citation
 Greiner, C; Zettl, H; Koeberle, A; Pergola, C; Northoff, H; Schubert-Zsilavecz, M; Werz, O Identification of 2-mercaptohexanoic acids as dual inhibitors of 5-lipoxygenase and microsomal prostaglandin E2 synthase-1. Bioorg Med Chem 19:3394-401 (2011) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
Prostaglandin E2 synthase-1 ( mPGES-1) | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | PTGES_HUMAN | PTGES | MGST1L1 | MPGES1 | PGES | PIG12 | Prostaglandin E synthase/G/H synthase 2
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Human
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM50297887
Synonyms:
2-(4-(3-(4-chloro-3-(trifluoromethyl)phenoxy)propoxy)phenylthio)hexanoic acid | CHEMBL551884
Type:
Small organic molecule
Emp. Form.:
C22 H24 Cl F3 O4 S
Mol. Mass.:
476.93676
SMILES:
CCCCC(Sc1ccc(OCCCOc2ccc(Cl)c(c2)C(F)(F)F)cc1)C(O)=O
Structure:
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