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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50084349
Substrate
n/a
Meas. Tech.
ChEMBL_159907 (CHEMBL768956)
IC50
660±n/a nM
Citation
 Puig, C; Crespo, MI; Godessart, N; Feixas, J; Ibarzo, J; Jiménez, JM; Soca, L; Cardelús, I; Heredia, A; Miralpeix, M; Puig, J; Beleta, J; Huerta, JM; López, M; Segarra, V; Ryder, H; Palacios, JM Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors. J Med Chem 43:214-23 (2000) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | 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:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50084349
Synonyms:
3-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one | CHEMBL70158
Type:
Small organic molecule
Emp. Form.:
C16H12FNO4S
Mol. Mass.:
333.334
SMILES:
CS(=O)(=O)c1ccc(cc1)-c1coc(=O)n1-c1ccccc1F |(5.04,-8.06,;6.08,-9.19,;7.18,-10.29,;5.08,-10.45,;7.11,-8.04,;6.63,-6.59,;7.67,-5.45,;9.16,-5.76,;9.64,-7.22,;8.62,-8.36,;10.18,-4.61,;11.71,-4.76,;12.32,-3.35,;11.18,-2.33,;11.34,-.8,;9.85,-3.1,;8.76,-2.01,;9.16,-.51,;8.06,.6,;6.55,.19,;6.15,-1.33,;7.26,-2.42,;6.87,-3.89,)|
Structure:
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