Reaction Details |
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Target | Prostaglandin G/H synthase 1 |
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Ligand | BDBM50088570 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_158728 (CHEMBL768736) |
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IC50 | 1.9±n/a nM |
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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 Chem43:2280-4 (2000) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Prostaglandin G/H synthase 1 |
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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: | MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
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BDBM50088570 |
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n/a |
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Name | BDBM50088570 |
Synonyms: | (S)-2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3-benzoylphenyl)propanoic acid | 2-(3-Benzoyl-phenyl)-propionic acid | CHEMBL75435 | KETOPROFEN |
Type | Small organic molecule |
Emp. Form. | C16H14O3 |
Mol. Mass. | 254.2806 |
SMILES | C[C@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1 |
Structure |
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