Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKetohexokinase
LigandBDBM50380257
Substrate/Competitorn/a
Meas. Tech.ChEMBL_831738 (CHEMBL2065101)
IC50 8±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 Lett22:5326-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ketohexokinase
Name:Ketohexokinase
Synonyms:Hepatic fructokinase | KHK | KHK_HUMAN | Ketohexokinase | Ketohexokinase (KHK) | Ketohexokinase (KHK) Isoform C
Type:Enzyme Catalytic Domain
Mol. Mass.:32521.64
Organism:Homo sapiens (Human)
Description:n/a
Residue:298
Sequence:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50380257
n/a
NameBDBM50380257
Synonyms:CHEMBL2017253
TypeSmall organic molecule
Emp. Form.C22H26N8S
Mol. Mass.434.56
SMILESCSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CC2(CNC2)C1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: