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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50153445
Substrate
n/a
Meas. Tech.
ChEMBL_1562612 (CHEMBL3779261)
IC50
1100±n/a nM
Citation
 Migliore, M; Habrant, D; Sasso, O; Albani, C; Bertozzi, SM; Armirotti, A; Piomelli, D; Scarpelli, R Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies. Eur J Med Chem 109:216-37 (2016) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 1
Synonyms:
COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68868.60
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM50153445
Synonyms:
CHEMBL3775280 | US9630914, Example 15
Type:
Small organic molecule
Emp. Form.:
C22H28FNO3
Mol. Mass.:
373.461
SMILES:
CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Structure:
Search PDB for entries with ligand similarity: