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TargetKetohexokinase
LigandBDBM50380270
Substrate/Competitorn/a
Meas. Tech.ChEMBL_813545
IC50 1500±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 Lett2:538-543 (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:
BDBM50380270
NameBDBM50380270
Synonyms:CHEMBL2017237
TypeSmall organic molecule
Emp. Form.C22H28N8
Mol. Mass.404.5113
SMILESCN1CCN(CC1)c1nc(Nc2ccccc2C)c2ncnc(NCC3CC3)c2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a