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Target
Ketohexokinase
Ligand
BDBM463759
Substrate
n/a
Meas. Tech.
Enzyme Activity Assay
IC50
9.00±n/a nM
Citation
 Durham, TB 2,6-diamino pyridine compounds US Patent  US10781212 Publication Date 9/22/2020 
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:
BDBM463759
Synonyms:
2-[(3R)-1-[5-cyano-6-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]acetic Acid | US10781212, Example 1
Type:
Small organic molecule
Emp. Form.:
C17H19F3N4O2
Mol. Mass.:
368.3536
SMILES:
C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)N1CC[C@H](CC(O)=O)C1
Structure:
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