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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50169047
Substrate
n/a
Meas. Tech.
ChEMBL_553547 (CHEMBL958730)
IC50
2600±n/a nM
Citation
 Congreve, M; Chessari, G; Tisi, D; Woodhead, AJ Recent developments in fragment-based drug discovery. J Med Chem 51:3661-80 (2008) [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:
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:
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