BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKetohexokinase
LigandBDBM50380278
Substrate/Competitorn/a
Meas. Tech.ChEMBL_813545
IC50 16±n/a nM
Citation Maryanoff BEMcComsey DFYabut SCLuci DKJordan ADMasucci JAJones WJAbad MCGibbs ACPetrounia I Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett 2:538-543 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ketohexokinase
Name:Ketohexokinase
Synonyms:Hepatic fructokinase | Ketohexokinase (KHK)
Type:Enzyme
Mol. Mass.:32521.64
Organism:Homo sapiens (Human)
Description:P50053
Residue:298
Sequence:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50380278
n/a
NameBDBM50380278
Synonyms:CHEMBL2017246
TypeSmall organic molecule
Emp. Form.C21H23N9S2
Mol. Mass.465.598
SMILESCSc1ccccc1Nc1nc(nc2c(NCc3nccs3)ncnc12)N1CCNCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: