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Target
Ketohexokinase
Ligand
BDBM130615
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
11500±n/a nM
Comments
extracted
Citation
 Zhang, X; Abad, MC; Gibbs, AC; Kuo, G; Kuo, LC; Song, F; Sui, Z Indazole compounds useful as ketohexokinase inhibitors US Patent  US8822447 Publication Date 9/2/2014 
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:
BDBM130615
Synonyms:
US8822447, 95
Type:
Small organic molecule
Emp. Form.:
C23H30N6O
Mol. Mass.:
406.5239
SMILES:
CCc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C1CCN(CC1)C1CCNCC1
Structure:
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