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Target
Prostaglandin G/H synthase 1
Ligand
BDBM123793
Substrate
n/a
Meas. Tech.
Cyclooxygenase (COX) Inhibition Assay
Temperature
310.15±0 K
IC50
>1.00e+5±n/a nM
Citation
 Dube, PN; Bule, SS; Mokale, SN; Kumbhare, MR; Dighe, PR; Ushir, YV Synthesis and biologic evaluation of substituted 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one derivatives as selective COX-2 inhibitors: molecular docking study. Chem Biol Drug Des 84:409-19 (2014) [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:
BDBM123793
Synonyms:
4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol- 4-yl)methyl]amino} benzene sulfonamide (5f)
Type:
Small organic molecule
Emp. Form.:
C17H18N4O3S
Mol. Mass.:
358.415
SMILES:
Cc1[nH]n(-c2ccccc2)c(=O)c1CNc1ccc(cc1)S(N)(=O)=O
Structure:
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