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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50266016
Substrate
n/a
Meas. Tech.
ChEMBL_544743 (CHEMBL1010180)
IC50
>30000±n/a nM
Citation
 Zanatta, SD; Manallack, DT; Jarrott, B; Williams, SJ Synthesis and evaluation of dithiolethiones as novel cyclooxygenase inhibitors. Bioorg Med Chem Lett 19:459-61 (2008) [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:
BDBM50266016
Synonyms:
5-(3,5-di-tert-butyl-4-methoxyphenyl)-3H-1,2-dithiole-3-thione | CHEMBL462709
Type:
Small organic molecule
Emp. Form.:
C18H24OS3
Mol. Mass.:
352.578
SMILES:
COc1c(cc(cc1C(C)(C)C)-c1cc(=S)ss1)C(C)(C)C
Structure:
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