Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin D Synthase
LigandBDBM21628
Substrate/CompetitorBDBM21614
Meas. Tech.In Vitro GST Activity Assay
pH7.2±n/a
Temperature295.15±n/a K
IC50 1500±n/a nM
Citation Hohwy MSpadola LLundquist BHawtin PDahmén JGroth-Clausen INilsson EPersdotter Svon Wachenfeldt KFolmer RHEdman K Novel prostaglandin d synthase inhibitors generated by fragment-based drug design. J Med Chem 51:2178-86 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Prostaglandin D Synthase
Name:Prostaglandin D Synthase
Synonyms:Glutathione-dependent PGD synthetase | Glutathione-requiring prostaglandin D synthase | H-PGDS | Hematopoietic prostaglandin D synthase | Hematopoietic prostaglandin D synthase (H-PGDS) | Hematopoietic prostaglandin D synthase (HPGDS) | PGDS | Prostaglandin D
Type:Enzyme
Mol. Mass.:23341.07
Organism:Homo sapiens (Human)
Description:The protein was expressed in E. coli strain BL21(DE3) with an N-terminal 6-His tag.
Residue:199
Sequence:
MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKIPILEVDGLT
LHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSCFPWAEKKQDVKEQMFNELL
TYNAPHLMQDLDTYLGGREWLIGNSVTWADFYWEICSTTLLVFKPDLLDNHPRLVTLRKK
VQAIPAVANWIKRRPQTKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21628
BDBM21614
NameBDBM21628
Synonyms:Pyridine-3-carboxylate | methyl 6-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyridine-3-carboxylate | methyl 6-[3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl]pyridine-3-carboxylate
TypeSmall organic molecule
Emp. Form.C14H11N5O2
Mol. Mass.281.2694
SMILESCOC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: