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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50561529
Substrate
n/a
Meas. Tech.
ChEMBL_2075101 (CHEMBL4730635)
IC50
94±n/a nM
Citation
 Malerba, P; Crews, BC; Ghebreselasie, K; Daniel, CK; Jashim, E; Aleem, AM; Salam, RA; Marnett, LJ; Uddin, MJ Targeted Detection of Cyclooxygenase-1 in Ovarian Cancer. ACS Med Chem Lett 11:1837-1842 (2020) [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:
BDBM50561529
Synonyms:
CHEMBL4792985
Type:
Small organic molecule
Emp. Form.:
C57H58N6O6
Mol. Mass.:
923.107
SMILES:
COc1ccc(cc1)-n1nc(CCC(=O)NCCCCNC(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)C([O-])=O)cc1-c1ccc(C)cc1 |c:28,35|
Structure:
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