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TargetProstaglandin G/H synthase 2
LigandBDBM50297687
Substrate/Competitorn/a
Meas. Tech.ChEMBL_583892 (CHEMBL1059944)
IC50<10±n/a nM
Citation Swarbrick, MEBeswick, PJGleave, RJGreen, RHBingham, SBountra, CCarter, MCChambers, LJChessell, IPClayton, NMCollins, SDCorfield, JAHartley, CDKleanthous, SLambeth, PFLucas, FSMathews, NNaylor, APage, LWPayne, JJPegg, NAPrice, HSSkidmore, JStevens, AJStocker, RStratton, SCStuart, AJWiseman, JO Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett19:4504-8 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 2
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:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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  Blast E-value cutoff:
BDBM50297687
n/a
NameBDBM50297687
Synonyms:2-(cyclopentyloxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine | CHEMBL551418
TypeSmall organic molecule
Emp. Form.C17H17F3N2O3S
Mol. Mass.386.389
SMILESCS(=O)(=O)c1ccc(cc1)-c1cc(nc(OC2CCCC2)n1)C(F)(F)F
Structure
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