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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50022772
Substrate
n/a
Ki
170±n/a nM
Comments
PDSP_4468
Citation
 Warner, TD; Giuliano, F; Vojnovic, I; Bukasa, A; Mitchell, JA; Vane, JR Nonsteroid drug selectivities for cyclo-oxygenase-1 rather than cyclo-oxygenase-2 are associated with human gastrointestinal toxicity: a full in vitro analysis. Proc Natl Acad Sci U S A 96:7563-8 (1999) [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:
BDBM50022772
Synonyms:
CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Diisopropyl fluorophosphonate | Diisopropyl phosphofluoridate | Diisopropyl phosphorofluoridate | Diisopropylfluorophosphate | Diisopropylfluorophosphoric acid ester | Diisopropylphosphorofluoridate | Fluorodiisopropyl phosphate | ISOFLUROPHATE | Isofluorphate | Isoflurophosphate | Isopropyl fluophosphate | Isopropyl phosphorofluoridate | Neoglaucit | O,O'-Diisopropyl phosphoryl fluoride | bis(propan-2-yl) fluorophosphate | diisopropyl fluorophosphate
Type:
Small organic molecule
Emp. Form.:
C6H14FO3P
Mol. Mass.:
184.1457
SMILES:
CC(C)OP(F)(=O)OC(C)C
Structure:
Search PDB for entries with ligand similarity: