Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM50648643
Substrate
n/a
Meas. Tech.
ChEMBL_2486844
IC50
2.3±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:
BDBM50648643
Synonyms:
CHEMBL5612048
Type:
Small organic molecule
Emp. Form.:
C22H25F3N5O3PS
Mol. Mass.:
527.51
SMILES:
CP(=O)(O)OCc1ccc(c(c1)Nc2c(c(cc(n2)N3C[C@H]4CNC[C@H]4C3)C(F)(F)F)C#N)SC
Structure:
Search PDB for entries with ligand similarity: