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TargetCyclooxygenase
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.ChEMBL_791243
IC50 100±n/a nM
Citation Eleftheriou PGeronikaki AHadjipavlou-Litina DVicini PFilz OFilimonov DPoroikov VChaudhaery SSRoy KKSaxena AK Fragment-based design, docking, synthesis, biological evaluation and structure-activity relationships of 2-benzo/benzisothiazolimino-5-aryliden-4-thiazolidinones as cycloxygenase/lipoxygenase inhibitors. Eur J Med Chem 47:111-24 (2012) [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:
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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