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Target
Prostaglandin G/H synthase 1
Ligand
BDBM123792
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:
BDBM123792
Synonyms:
1-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4- yl)methyl)guanidine (5e)
Type:
Small organic molecule
Emp. Form.:
C12H15N5O
Mol. Mass.:
245.2804
SMILES:
Cc1[nH]n(-c2ccccc2)c(=O)c1CN=C(N)N |(3.01,-5.93,;2.1,-4.68,;2.58,-3.22,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;.09,-3.22,;-1.38,-2.74,;.56,-4.68,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;-2.15,-8.42,)|
Structure:
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