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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50088570
Substrate
n/a
Meas. Tech.
ChEMBL_158728 (CHEMBL768736)
IC50
1.9±n/a nM
Citation
 Palomer, A; Pérez, JJ; Navea, S; Llorens, O; Pascual, J; García, L; Mauleón, D Modeling cyclooxygenase inhibition. Implication of active site hydration on the selectivity of ketoprofen analogues. J Med Chem 43:2280-4 (2000) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX-1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | Prostaglandin G/H synthase (cyclooxygenase) | PGH1_HUMAN | PTGS1 | COX1
Type:
Enzyme
Mol. Mass.:
68692.62
Organism:
Human
Description:
P23219
Residue:
599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRSNLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEALVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQELVGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICSPEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
  
Inhibitor
Name:
BDBM50088570
Synonyms:
2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3-benzoylphenyl)propanoic acid | CHEMBL75435 | (S)-2-(3-Benzoyl-phenyl)-propionic acid | KETOPROFEN
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
Structure:
Search PDB for entries with ligand similarity: