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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50022271
Substrate
n/a
Meas. Tech.
ChEMBL_51675 (CHEMBL664168)
IC50
2±n/a nM
Citation
 Palomer, A; Pascual, J; Cabré, M; Borràs, L; González, G; Aparici, M; Carabaza, A; Cabré, F; García, ML; Mauleón, D Structure-based design of cyclooxygenase-2 selectivity into ketoprofen. Bioorg Med Chem Lett 12:533-7 (2002) [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:
BDBM50022271
Synonyms:
2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylphenyl)propanoic acid | 3-Benzoyl-alpha-methylbenzeneacetic acid | 3-Benzoylhydratropic acid | CHEMBL571 | Dexketoprofen trometamol | KETOPROFEN | L'Acide (benzoyl-3-phenyl)-2-propionique | Orudis (TN) | m-Benzoylhydratropic acid
Type:
Small organic molecule
Emp. Form.:
C16H14O3
Mol. Mass.:
254.2806
SMILES:
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Structure:
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