Target
Prostaglandin E synthase
Ligand
BDBM50297881
Substrate
n/a
Meas. Tech.
ChEMBL_748820 (CHEMBL1781668)
IC50
2200±n/a nM
Citation
 Greiner, CZettl, HKoeberle, APergola, CNorthoff, HSchubert-Zsilavecz, MWerz, 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:
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:
BDBM50297881
Synonyms:
2-(4-(3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propoxy)phenylthio)hexanoic acid | CHEMBL558072
Type:
Small organic molecule
Emp. Form.:
C25H32O4S
Mol. Mass.:
428.584
SMILES:
CCCCC(Sc1ccc(OCCCOc2cccc3CCCCc23)cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: