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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50009859
Substrate
n/a
Ki
>10000±n/a nM
Comments
PDSP_3993
Citation
 Riendeau, D; Percival, MD; Brideau, C; Charleson, S; Dubé, D; Ethier, D; Falgueyret, JP; Friesen, RW; Gordon, R; Greig, G; Guay, J; Mancini, J; Ouellet, M; Wong, E; Xu, L; Boyce, S; Visco, D; Girard, Y; Prasit, P; Zamboni, R; Rodger, IW; Gresser, M; Ford-Hutchinson, AW; Young, RN; Chan, 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 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:
Enzyme
Mol. Mass.:
69003.89
Organism:
Homo sapiens (Human)
Description:
Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50009859
Synonyms:
(+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid | (+-)-ibuprofen | (+-)-p-isobutylhydratropic acid | (4-isobutylphenyl)-alpha-methylacetic acid | (RS)-ibuprofen | 2-(4-isobutylphenyl)propanoic acid | 2-[4-(2-methylpropyl)phenyl]propanoic acid | 4-isobutylhydratropic acid | Advil | Brufen | CHEMBL521 | IBUPROFEN LYSINE | Ibuprofen | Ibuprofen (1) | Motrin | alpha-(4-isobutylphenyl)propionic acid | alpha-(p-isobutylphenyl)propionic acid
Type:
Small organic molecule
Emp. Form.:
C13H18O2
Mol. Mass.:
206.2808
SMILES:
CC(C)Cc1ccc(cc1)C(C)C(O)=O
Structure:
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