Target
Ketohexokinase
Ligand
BDBM50349725
Substrate
n/a
Meas. Tech.
ChEMBL_759463 (CHEMBL1810789)
IC50
80±n/a nM
Citation
 Zhang, XSong, FKuo, GHXiang, AGibbs, ACAbad, MCSun, WKuo, LCSui, Z Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors. Bioorg Med Chem Lett 21:4762-7 (2011) [PubMed]  Article 
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:
BDBM50349725
Synonyms:
CHEMBL1809152
Type:
Small organic molecule
Emp. Form.:
C19H19N3S
Mol. Mass.:
321.439
SMILES:
CSc1nn(-c2ccccc2)c2cc(ccc12)C1=CCNCC1 |t:20|
Structure:
Search PDB for entries with ligand similarity: