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TargetProstaglandin G/H synthase (Cyclooxygenase-2)
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.Enzyme Kinetics Assay
Ki 4.9e+2± 0 nM
Citation Banerjee AGDas NShengule SASharma PASrivastava RSShrivastava SK Design, synthesis, evaluation and molecular modelling studies of some novel 5,6-diphenyl-1,2,4-triazin-3(2H)-ones bearing five-member heterocyclic moieties as potential COX-2 inhibitors: A hybrid pharmacophore approach. Bioorg Chem 69:102-120 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase (Cyclooxygenase-2)
Name:Prostaglandin G/H synthase (cyclooxygenase)
Synonyms:Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2)
Type:Protein
Mol. Mass.:68976.98
Organism:Ovis aries (Sheep)
Description:n/a
Residue:603
Sequence:
MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLT
RIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYS
YKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTN
LMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQ
MINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDV
LKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQN
RIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVA
GRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALY
GDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVG
FKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERS
TEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11639
n/a
NameBDBM11639
Synonyms:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
TypeSmall organic molecule
Emp. Form.C17H14F3N3O2S
Mol. Mass.381.372
SMILESCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure
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