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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50169047
Substrate
n/a
Meas. Tech.
ChEMBL_2054174 (CHEMBL4709175)
IC50
4500±n/a nM
Citation
 Sisa, M; Dvorakova, M; Temml, V; Jarosova, V; Vanek, T; Landa, P Synthesis, inhibitory activity and in silico docking of dual COX/5-LOX inhibitors with quinone and resorcinol core. Eur J Med Chem 204:0 (2020) [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:
BDBM50169047
Synonyms:
(S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(4-isobutylphenyl)propanoic acid | (S)-ibuprofen | CHEMBL175 | DEXIBUPROFEN | IBUPROFEN LYSINE
Type:
Small organic molecule
Emp. Form.:
C13H18O2
Mol. Mass.:
206.2808
SMILES:
CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: