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TargetKetohexokinase
LigandBDBM319600
Substrate/Competitorn/a
Meas. Tech.KHK Assay B
IC50 3.30±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:
BDBM319600
n/a
NameBDBM319600
Synonyms:US10174007, Example 24 | US10787438, Example 24 | US11634410, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid
TypeSmall organic molecule
Emp. Form.C17H21F3N4O3
Mol. Mass.386.3688
SMILESC[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C)c(n1)C(F)(F)F
Structure
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