Target
Prostaglandin G/H synthase 1
Ligand
BDBM50056999
Substrate
n/a
Ki
120±n/a nM
Comments
PDSP_3990
Citation
 Riendeau, DPercival, MDBrideau, CCharleson, SDubé, DEthier, DFalgueyret, JPFriesen, RWGordon, RGreig, GGuay, JMancini, JOuellet, MWong, EXu, LBoyce, SVisco, DGirard, YPrasit, PZamboni, RRodger, IWGresser, MFord-Hutchinson, AWYoung, RNChan, CC Etoricoxib (MK-0663): preclinical profile and comparison with other agents that selectively inhibit cyclooxygenase-2. J Pharmacol Exp Ther 296:558-66 (2001) [PubMed] 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50056999
Synonyms:
CHEMBL56367 | nimesulide
Type:
Small organic molecule
Emp. Form.:
C13H12N2O5S
Mol. Mass.:
308.31
SMILES:
CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: