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TargetProstaglandin G/H synthase 2
LigandBDBM198172
Substrate/Competitorn/a
Meas. Tech.In vitro COX Inhibition Assay
IC50 6.5e+2± 28 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 Chem69:102-120 (2016) [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-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase)
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:
BDBM198172
n/a
NameBDBM198172
Synonyms:2-((5-(4-Chlorophenylamino)-1,3,4-oxadiazol-2-yl)methyl)-5,6-diphenyl-1,2,4-triazin-3(2H)-one (3d)
TypeSmall organic molecule
Emp. Form.C24H17ClN6O2
Mol. Mass.456.884
SMILESClc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Structure
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