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TargetProstaglandin G/H synthase (Cyclooxygenase-2)
LigandBDBM50355030
Substrate/Competitorn/a
Meas. Tech.ChEMBL_772567
IC50 1700±n/a nM
Citation Abdur Rahim, MPraveen Rao, PNBhardwaj, AKaur, JHuang, ZKnaus, EE Isomeric acetoxy analogs of celecoxib and their evaluation as cyclooxygenase inhibitors. Bioorg Med Chem Lett21:6074-80 (2011) [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:
BDBM50355030
NameBDBM50355030
Synonyms:CHEMBL1835475
TypeSmall organic molecule
Emp. Form.C17H14F3N3O3S
Mol. Mass.397.372
SMILESCc1ccc(cc1O)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure
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n/a