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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50464833
Substrate
n/a
Meas. Tech.
ChEMBL_1782963 (CHEMBL4254480)
IC50
4220±n/a nM
Citation
 Moussa, G; Alaaeddine, R; Alaeddine, LM; Nassra, R; Belal, ASF; Ismail, A; El-Yazbi, AF; Abdel-Ghany, YS; Hazzaa, A Novel click modifiable thioquinazolinones as anti-inflammatory agents: Design, synthesis, biological evaluation and docking study. Eur J Med Chem 144:635-650 (2018) [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:
BDBM50464833
Synonyms:
CHEMBL4288111
Type:
Small organic molecule
Emp. Form.:
C24H18ClN5O2S
Mol. Mass.:
475.95
SMILES:
COc1ccc(cc1)-n1c(SCc2cn(nn2)-c2ccc(Cl)cc2)nc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: