Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM22360
Substrate
n/a
Meas. Tech.
ChEMBL_1275979 (CHEMBL3088743)
Ki
62000±n/a nM
Citation
 Végner, L; Peragovics, Á; Tombor, L; Jelinek, B; Czobor, P; Bender, A; Simon, Z; Málnási-Csizmadia, A Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching. J Med Chem 56:8377-88 (2013) [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:
BDBM22360
Synonyms:
2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid | Acetylsalicylic acid | Aspirin | Endosprin | Polopirin | Zorprin | acetylsalicylate | cid_2244
Type:
Anti-Inflammatory Agents, Non-Steroidal
Emp. Form.:
C9H8O4
Mol. Mass.:
180.1574
SMILES:
CC(=O)Oc1ccccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: