BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKetohexokinase
LigandBDBM319598
Substrate/Competitorn/a
Meas. Tech.KHK Assay A
IC50 33.9±n/a nM
Citation Dowling MFernando DFutatsugi KHuard KMagee TVRaymer BShavnya ASmith AThuma BTsai ATu M Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors US Patent  US10174007 Publication Date 1/8/2019  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:
BDBM319598
n/a
NameBDBM319598
Synonyms:US10174007, Example 13
TypeSmall organic molecule
Emp. Form.C17H21F3N4O4
Mol. Mass.402.3682
SMILESCOc1c(nc(nc1C(F)(F)F)N1C[C@@H](O)[C@@H]1C)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: