Reaction Details  Report a problem with these data
Target
Prostaglandin G/H synthase 1
Ligand
BDBM50049025
Substrate
n/a
Meas. Tech.
ChEMBL_158921 (CHEMBL763485)
IC50
5±n/a nM
Citation
 Huang, HC; Li, JJ; Garland, DJ; Chamberlain, TS; Reinhard, EJ; Manning, RE; Seibert, K; Koboldt, CM; Gregory, SA; Anderson, GD; Veenhuizen, AW; Zhang, Y; Perkins, WE; Burton, EG; Cogburn, JN; Isakson, PC; Reitz, DB Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships. J Med Chem 39:253-66 (1996) [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:
BDBM50049025
Synonyms:
4-[6-(4-Methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide | CHEMBL432945
Type:
Small organic molecule
Emp. Form.:
C20H21NO3S
Mol. Mass.:
355.451
SMILES:
COc1ccc(cc1)C1=C(CC2(CC2)C1)c1ccc(cc1)S(N)(=O)=O |t:9|
Structure:
Search PDB for entries with ligand similarity: