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Target
Ketohexokinase
Ligand
BDBM319603
Substrate
n/a
Meas. Tech.
KHK Assay B
IC50
8.00±n/a nM
Citation
 Dowling, M; Fernando, D; Futatsugi, K; Huard, K; Magee, TV; Raymer, B; Shavnya, A; Smith, A; Thuma, B; Tsai, A; Tu, 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:
BDBM319603
Synonyms:
US10174007, Example 43 | US10787438, Example 43 | US11634410, Example 43 | [(1R,5S,6R)-3-{6-(difluoromethyl)-5-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid
Type:
Small organic molecule
Emp. Form.:
C17H22F2N4O2
Mol. Mass.:
352.379
SMILES:
C[C@H]1CCN1c1nc(C(F)F)c(C)c(n1)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1
Structure:
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