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TargetCyclooxygenase
LigandBDBM50009859
Substrate/Competitorn/a
Ki>10000±n/a nM
CommentsPDSP_3993
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 Ther296:558-66 (2001) [PubMed]  Article
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Cyclooxygenase
Name:Prostaglandin E synthase/G/H synthase 2
Synonyms:Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGHS-2 | PHS II | 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:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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BDBM50009859
NameBDBM50009859
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
TypeSmall organic molecule
Emp. Form.C13H18O2
Mol. Mass.206.2808
SMILESCC(C)Cc1ccc(cc1)C(C)C(O)=O
Structure
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