Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 1
LigandBDBM26193
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1584966 (CHEMBL3819990)
IC50 500000±n/a nM
Citation Ehrt, CBrinkjost, TKoch, O Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design. J Med Chem59:4121-51 (2016) [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:
BDBM26193
n/a
NameBDBM26193
Synonyms:2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHEMBL424 | phenol derivative, 7 | salicylic acid
TypeSmall organic molecule
Emp. Form.C7H6O3
Mol. Mass.138.1207
SMILESOC(=O)c1ccccc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: