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TargetKetohexokinase
LigandBDBM50380246
Substrate/Competitorn/a
Meas. Tech.ChEMBL_831738
IC50 12±n/a nM
Citation Maryanoff BEO'Neill JCMcComsey DFYabut SCLuci DKGibbs ACConnelly MA Pyrimidinopyrimidine inhibitors of ketohexokinase: exploring the ring C2 group that interacts with Asp-27B in the ligand binding pocket. Bioorg Med Chem Lett 22:5326-9 (2012) [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:
BDBM50380246
n/a
NameBDBM50380246
Synonyms:CHEMBL2017214
TypeSmall organic molecule
Emp. Form.C21H26N8S
Mol. Mass.422.55
SMILESCSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Structure
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