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TargetCyclooxygenase
LigandBDBM50049030
Substrate/Competitorn/a
Meas. Tech.ChEMBL_159916
IC50 1.5±n/a nM
Citation Huang HCLi JJGarland DJChamberlain TSReinhard EJManning RESeibert KKoboldt CMGregory SAAnderson GDVeenhuizen AWZhang YPerkins WEBurton EGCogburn JNIsakson PCReitz DB Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships. J Med Chem 39:253-66 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
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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  Blast E-value cutoff:
BDBM50049030
n/a
NameBDBM50049030
Synonyms:5-(4-Methanesulfonyl-phenyl)-6-p-tolyl-spiro[2.4]hept-5-ene | CHEMBL92102
TypeSmall organic molecule
Emp. Form.C21H22O2S
Mol. Mass.338.463
SMILESCc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(C)(=O)=O |t:8|
Structure
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