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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50554356
Substrate
n/a
Meas. Tech.
ChEMBL_2049487 (CHEMBL4704186)
IC50
4000±n/a nM
Citation
 Ortega, JA; Arencibia, JM; Minniti, E; Byl, JAW; Franco-Ulloa, S; Borgogno, M; Genna, V; Summa, M; Bertozzi, SM; Bertorelli, R; Armirotti, A; Minarini, A; Sissi, C; Osheroff, N; De Vivo, M Novel, Potent, and Druglike Tetrahydroquinazoline Inhibitor That Is Highly Selective for Human Topoisomerase II ? over ?. J Med Chem 63:12873-12886 (2020) [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:
BDBM50554356
Synonyms:
CHEMBL4758733
Type:
Small organic molecule
Emp. Form.:
C21H24N6
Mol. Mass.:
360.4555
SMILES:
CN(C)c1ccc(Nc2nc(nc3CCC(N)Cc23)-c2ccncc2)cc1
Structure:
Search PDB for entries with ligand similarity: