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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50131650
Substrate
n/a
Meas. Tech.
ChEMBL_159893 (CHEMBL766721)
IC50
7.0±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:
BDBM50131650
Synonyms:
4-Chloro-5-(2,4-difluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole | CHEMBL115752
Type:
Small organic molecule
Emp. Form.:
C16H11ClF2N2O2S
Mol. Mass.:
368.786
SMILES:
CS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(F)cc1F |(14.99,-4.85,;13.47,-5.19,;13.82,-6.69,;13.14,-3.68,;11.97,-5.52,;10.92,-4.4,;9.42,-4.75,;8.96,-6.22,;10.01,-7.35,;11.51,-7.01,;7.46,-6.57,;6.93,-8,;5.41,-7.93,;4.99,-6.46,;3.65,-5.69,;6.27,-5.61,;6.27,-4.05,;4.94,-3.28,;4.94,-1.74,;6.27,-.97,;6.27,.58,;7.6,-1.74,;7.6,-3.28,;8.94,-4.07,)|
Structure:
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