Target
Ketohexokinase
Ligand
BDBM319600
Substrate
n/a
Meas. Tech.
KHK Assay A
IC50
9.70±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 
Target
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:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
Name:
BDBM319600
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
Type:
Small organic molecule
Emp. Form.:
C17H21F3N4O3
Mol. Mass.:
386.3688
SMILES:
C[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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