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Target
Prostaglandin G/H synthase 1
Ligand
BDBM22369
Substrate
n/a
Meas. Tech.
ChEMBL_51692 (CHEMBL665707)
IC50
18300±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:
BDBM22369
Synonyms:
4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one | CHEMBL122 | MK 0966 | Rofecoxib | US11478464, Compound Rofecoxib | US11786535, Compound Rofecoxib
Type:
Small organic molecule
Emp. Form.:
C17H14O4S
Mol. Mass.:
314.356
SMILES:
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Structure:
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