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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50120981
Substrate
n/a
Meas. Tech.
ChEMBL_158941 (CHEMBL767829)
IC50
2200±n/a nM
Citation
 Julémont, F; de Leval, X; Michaux, C; Damas, J; Charlier, C; Durant, F; Pirotte, B; Dogné, JM Spectral and crystallographic study of pyridinic analogues of nimesulide: determination of the active form of methanesulfonamides as COX-2 selective inhibitors. J Med Chem 45:5182-5 (2002) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Homo sapiens (Human)
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50120981
Synonyms:
1,1,1-trifluoro-N-(3-phenoxypyridin-4-yl)methanesulfonamide | C,C,C-Trifluoro-N-(3-phenoxy-pyridin-4-yl)-methanesulfonamide | CHEMBL147165 | N-(3-phenoxy-4-pyridinyl)trifluoromethanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2O3S
Mol. Mass.:
318.272
SMILES:
FC(F)(F)S(=O)(=O)Nc1ccncc1Oc1ccccc1
Structure:
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