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TargetProstaglandin G/H synthase 2
LigandBDBM50317932
Substrate/Competitorn/a
Meas. Tech.ChEMBL_630411 (CHEMBL1113782)
IC50 0.65±n/a nM
Citation Singh, P; Bhardwaj, A Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation. J Med Chem53:3707-17 (2010) [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:
BDBM50317932
n/a
NameBDBM50317932
Synonyms:(2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4-diphenyl-6-(thiocyanatomethyl)-2H-pyran-4-ol | CHEMBL1096724
TypeSmall organic molecule
Emp. Form.C25H22ClNO2S
Mol. Mass.435.966
SMILESO[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |r|
Structure
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