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Target
Prostaglandin G/H synthase 1
Ligand
BDBM50279037
Substrate
n/a
Meas. Tech.
ChEMBL_1720369 (CHEMBL4135369)
IC50
118000±n/a nM
Citation
 Kassab, SE; Khedr, MA; Ali, HI; Abdalla, MM Discovery of new indomethacin-based analogs with potentially selective cyclooxygenase-2 inhibition and observed diminishing to PGE2 activities. Eur J Med Chem 141:306-321 (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:
BDBM50279037
Synonyms:
CHEMBL4173526
Type:
Small organic molecule
Emp. Form.:
C20H20ClNO2S
Mol. Mass.:
373.896
SMILES:
CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCCc3c2c1
Structure:
Search PDB for entries with ligand similarity: