Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM50648640
Substrate
n/a
Meas. Tech.
ChEMBL_2486844
IC50
2.0±n/a nM
Citation
 Sabnis, RW Novel Cyanopyridine Compounds as KHK Inhibitors for Treating NAFLD, NASH, and Type II Diabetes. ACS Med Chem Lett 15:1191-1192[PubMed] 
Target
Name:
Ketohexokinase
Synonyms:
Ketohexokinase | Hepatic fructokinase | Ketohexokinase (KHK) | Ketohexokinase (KHK) Isoform C | KHK_HUMAN | KHK
Type:
Enzyme Catalytic Domain
Mol. Mass.:
32521.64
Organism:
Human
Description:
n/a
Residue:
298
Sequence:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
Name:
BDBM50648640
Synonyms:
CHEMBL5613013
Type:
Small organic molecule
Emp. Form.:
C23H25F3N6OS
Mol. Mass.:
490.56
SMILES:
CSc1ccc(CCC(N)=O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N
Structure:
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