Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM319590
Substrate
n/a
Meas. Tech.
KHK Assay A
IC50
188±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:
BDBM319590
Synonyms:
US10174007, Example 9 | US10787438, Example 9 | US10988463, Example 9 | US11634410, Example 9
Type:
Small organic molecule
Emp. Form.:
C17H23F3N4O3S
Mol. Mass.:
420.45
SMILES:
C[C@@H]1N(C[C@@]1(C)O)c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CS(C)(=O)=O)[C@H]2C1 |r|
Structure:
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