Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin E synthase
LigandBDBM50273710
Substrate/Competitorn/a
Meas. Tech.ChEMBL_794981 (CHEMBL1936308)
IC50 650±n/a nM
Citation Wiegard, AHanekamp, WGriessbach, KFabian, JLehr, M Pyrrole alkanoic acid derivatives as nuisance inhibitors of microsomal prostaglandin E2 synthase-1. Eur J Med Chem48:153-63 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin E synthase
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:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50273710
n/a
NameBDBM50273710
Synonyms:2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-2-ylthio)octanoic acid | CHEMBL462523
TypeSmall organic molecule
Emp. Form.C25H28ClN3O2S
Mol. Mass.470.027
SMILESCCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: