Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 1
LigandBDBM50343926
Substrate/Competitorn/a
Meas. Tech.ChEMBL_747535 (CHEMBL1777069)
IC50>100000±n/a nM
Citation Chen, ZWu, YLiu, YYang, SChen, YLai, L Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase. J Med Chem54:3650-60 (2011) [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:
BDBM50343926
n/a
NameBDBM50343926
Synonyms:1-(2-(4-(3-Nitrophenoxy)phenoxy)ethyl)pyrrolidine | CHEMBL1775088
TypeSmall organic molecule
Emp. Form.C18H20N2O4
Mol. Mass.328.3624
SMILES[O-][N+](=O)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: