Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin E synthase
LigandBDBM50029593
Substrate/Competitorn/a
Meas. Tech.ChEMBL_794980 (CHEMBL1936307)
IC50 20000±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:
BDBM50029593
n/a
NameBDBM50029593
Synonyms:CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide | N-(2-Cyclohexyloxy-4-nitro-phenyl)-methanesulfonamide(NS-398) | N-[2-(cyclohexyloxy)-4-nitrophenyl]methane sulfonamide | N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide | N-{2-(cyclohexyloxy)-4-[hydroxy(oxido)amino]phenyl}methanesulfonamide | NS-398 | NS398
TypeSmall organic molecule
Emp. Form.C13H18N2O5S
Mol. Mass.314.357
SMILESCS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: