Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50204366
Substrate
n/a
Meas. Tech.
ChEMBL_1627350 (CHEMBL3869871)
IC50
248000±n/a nM
Citation
 Swiatek, P; Strzelecka, M; Urniaz, R; Gebczak, K; Gebarowski, T; Gasiorowski, K; Malinka, W Synthesis, COX-1/2 inhibition activities and molecular docking study of isothiazolopyridine derivatives. Bioorg Med Chem 25:316-326 (2017) [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:
BDBM50204366
Synonyms:
CHEMBL3924311
Type:
Small organic molecule
Emp. Form.:
C12H14N2O3S
Mol. Mass.:
266.316
SMILES:
Cc1cc(C)c2c(OCCCC(O)=O)nsc2n1
Structure:
Search PDB for entries with ligand similarity: