Target
Prostaglandin G/H synthase 1
Ligand
BDBM50317928
Substrate
n/a
Meas. Tech.
ChEMBL_630412 (CHEMBL1113783)
IC50
63990±n/a nM
Citation
 Singh, PBhardwaj, A Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation. J Med Chem 53:3707-17 (2010) [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:
BDBM50317928
Synonyms:
(2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(thiocyanatomethyl)-2H-pyran-4-ol | CHEMBL1094412
Type:
Small organic molecule
Emp. Form.:
C25H23NO2S
Mol. Mass.:
401.521
SMILES:
O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: