Target
Prostaglandin G/H synthase 1
Ligand
BDBM50029593
Substrate
n/a
Meas. Tech.
ChEMBL_1619472 (CHEMBL3861641)
IC50
220000±n/a nM
Citation
 Park, EBKim, KJJeong, HRLee, JKKim, HJLee, HHLim, JWShin, JSKoeberle, AWerz, OLee, KTLee, JY Synthesis, structure determination, and biological evaluation of phenylsulfonyl hydrazide derivatives as potential anti-inflammatory agents. Bioorg Med Chem Lett 26:5193-5197 (2016) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50029593
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
Type:
Small organic molecule
Emp. Form.:
C13H18N2O5S
Mol. Mass.:
314.357
SMILES:
CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: