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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50338764
Substrate
n/a
Meas. Tech.
ChEMBL_727035 (CHEMBL1686959)
IC50
13500±n/a nM
Citation
 Li, Y; Chen, SH; Ou, TM; Tan, JH; Li, D; Gu, LQ; Huang, ZS Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase. Bioorg Med Chem 19:2074-83 (2011) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50338764
Synonyms:
CHEMBL1684390 | N-(2-(benzyloxy)-4-nitrophenyl)-N-(3-(4-methoxytetrahydro-2H-pyran-4-yl)benzyl)methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H30N2O7S
Mol. Mass.:
526.601
SMILES:
COC1(CCOCC1)c1cccc(CN(c2ccc(cc2OCc2ccccc2)[N+]([O-])=O)S(C)(=O)=O)c1
Structure:
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