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Target
Ketohexokinase
Ligand
BDBM494880
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
3.30±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  US10988463 Publication Date 4/27/2021 
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:
BDBM494880
Synonyms:
US10988463, 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(c(C)c(n1)C12CNCC1C2CC(O)=O)C(F)(F)F
Structure:
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