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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50131606
Substrate
n/a
Meas. Tech.
ChEMBL_159893 (CHEMBL766721)
IC50
43±n/a nM
Citation
 Almansa, C; Alfón, J; de Arriba, AF; Cavalcanti, FL; Escamilla, I; Gómez, LA; Miralles, A; Soliva, R; Bartrolí, J; Carceller, E; Merlos, M; García-Rafanell, J Synthesis and structure-activity relationship of a new series of COX-2 selective inhibitors: 1,5-diarylimidazoles. J Med Chem 46:3463-75 (2003) [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:
BDBM50131606
Synonyms:
4-Chloro-3-[5-chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-pyridine | CHEMBL116252
Type:
Small organic molecule
Emp. Form.:
C15H11Cl2N3O2S
Mol. Mass.:
368.238
SMILES:
CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cnccc1Cl |(15.2,-4.77,;13.68,-5.12,;14.03,-6.63,;13.35,-3.6,;12.18,-5.46,;11.14,-4.32,;9.64,-4.67,;9.18,-6.14,;10.23,-7.28,;11.72,-6.94,;7.68,-6.49,;7.15,-7.93,;5.63,-7.86,;5.21,-6.38,;3.88,-5.61,;6.49,-5.54,;6.49,-3.99,;7.82,-3.22,;7.82,-1.66,;6.49,-.89,;5.16,-1.66,;5.16,-3.22,;3.83,-4,)|
Structure:
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