Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 1
LigandBDBM50269631
Substrate/Competitorn/a
Meas. Tech.ChEMBL_551370 (CHEMBL1008496)
IC50 39000±n/a nM
Citation Larsson, JGottfries, JBohlin, LBacklund, A Expanding the ChemGPS chemical space with natural products. J Nat Prod68:985-91 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 1
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:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50269631
n/a
NameBDBM50269631
Synonyms:CHEMBL456092 | kutdtriol
TypeSmall organic molecule
Emp. Form.C15H26O3
Mol. Mass.254.3651
SMILESC[C@](O)(CO)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@]2(O)C1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: