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Target
Prostaglandin G/H synthase 1
Ligand
BDBM22358
Substrate
n/a
Meas. Tech.
ChEMBL_321312 (CHEMBL881408)
IC50
>100000±n/a nM
Citation
 Rao, PN; Chen, QH; Knaus, EE Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases. Bioorg Med Chem Lett 15:4842-5 (2005) [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:
BDBM22358
Synonyms:
1,3-Diarylprop-2-yn-1-one, 13o | 3-(4-methanesulfonylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-one | CHEMBL194891
Type:
Small organic molecule
Emp. Form.:
C19H18O6S
Mol. Mass.:
374.408
SMILES:
COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: