Target
Prostaglandin G/H synthase 1
Ligand
BDBM50240347
Substrate
n/a
Meas. Tech.
ChEMBL_1275979 (CHEMBL3088743)
Ki
4000±n/a nM
Citation
 Végner, LPeragovics, ÁTombor, LJelinek, BCzobor, PBender, ASimon, ZMálnási-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:
BDBM50240347
Synonyms:
(9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid | (Z,Z,Z)-9,12,15-octadecatrienoic acid | 9-cis,12-cis,15-cis-octadecatrienoic acid | ALA | CHEMBL8739 | all-cis-9,12,15-octadecatrienoic acid | alpha-linolenic acid | cid_5280934 | cis,cis,cis-9,12,15-octadecatrienoic acid | cis-Delta(9,12,15)-octadecatrienoic acid | linolenic acid
Type:
Small organic molecule
Emp. Form.:
C18H30O2
Mol. Mass.:
278.4296
SMILES:
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: