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Target
Prostaglandin E synthase
Ligand
BDBM50000541
Substrate
n/a
Meas. Tech.
ChEMBL_1801304 (CHEMBL4273596)
IC50
600±n/a nM
Citation
 Cheung, SY; Werner, M; Esposito, L; Troisi, F; Cantone, V; Liening, S; König, S; Gerstmeier, J; Koeberle, A; Bilancia, R; Rizza, R; Rossi, A; Roviezzo, F; Temml, V; Schuster, D; Stuppner, H; Schubert-Zsilavecz, M; Werz, O; Hanke, T; Pace, S Discovery of a benzenesulfonamide-based dual inhibitor of microsomal prostaglandin E Eur J Med Chem 156:815-830 (2018) [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:
BDBM50000541
Synonyms:
(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea | 1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea | CHEMBL93 | Leutrol | N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea | N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea | ZILEUTON | Zyflo (TN)
Type:
Small organic molecule
Emp. Form.:
C11H12N2O2S
Mol. Mass.:
236.29
SMILES:
CC(N(O)C(N)=O)c1cc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: