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TargetCyclooxygenase
LigandBDBM50056997
Substrate/Competitorn/a
Meas. Tech.ChEMBL_159741
IC50 46±n/a nM
Citation Lazer ESMiao CKCywin CLSorcek RWong HCMeng ZPotocki IHoermann MSnow RJTschantz MAKelly TAMcNeil DWCoutts SJChurchill LGraham AGDavid EGrob PMEngel WMeier HTrummlitz G Effect of structural modification of enol-carboxamide-type nonsteroidal antiinflammatory drugs on COX-2/COX-1 selectivity. J Med Chem 40:980-9 (1997) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50056997
n/a
NameBDBM50056997
Synonyms:3-Hydroxy-2-methyl-1-oxo-1,2-dihydro-isoquinoline-4-carboxylic acid (4-chloro-phenyl)-amide | CHEMBL174990
TypeSmall organic molecule
Emp. Form.C17H13ClN2O3
Mol. Mass.328.75
SMILESCN1C(=O)C(C(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O
Structure
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