Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetKetohexokinase
LigandBDBM319587
Substrate/Competitorn/a
Meas. Tech.KHK Assay A
IC50 170±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
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:
BDBM319587
n/a
NameBDBM319587
Synonyms:US10174007, Example 6 | US10988463, Example 6 | US11634410, Example 6
TypeSmall organic molecule
Emp. Form.C16H18F3N3O2
Mol. Mass.341.3282
SMILESOC(=O)C[C@H]1[C@@H]2CN(C[C@H]12)c1cc(nc(n1)C1CCC1)C(F)(F)F |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: