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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50037945
Substrate
n/a
Meas. Tech.
ChEBML_159254
IC50
15±n/a nM
Citation
 Reitz, DB; Huang, HC; Li, JJ; Garland, DJ; Manning, RE; Anderson, GD; Gregory, SA; Koboldt, CM; Perkins, WE; Seibert, K; Isakson, PC Selective cyclooxygenase inhibitors: Novel 4-spiro 1,2-diarylcyclopentenes are potent and orally active cox-2 inhibitors Bioorg Med Chem Lett 5:867-872 (1995)    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:
BDBM50037945
Synonyms:
1-[2-(4-fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene | 1-[4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-cyclopentenyl]-4-fluorobenzene | 1-{4,4-dimethyl-2-[4-(methylsulfonyl)phenyl]cyclopent-1-en-1-yl}-4-fluorobenzene | CHEMBL89578 | SC-58231
Type:
Small organic molecule
Emp. Form.:
C20H21FO2S
Mol. Mass.:
344.443
SMILES:
CC1(C)CC(=C(C1)c1ccc(cc1)S(C)(=O)=O)c1ccc(F)cc1 |c:4|
Structure:
Search PDB for entries with ligand similarity: