Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM130634
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
4220±n/a nM
Citation
 Zhang, X; Abad, MC; Gibbs, AC; Kuo, G; Song, F; Sui, Z; Kuo, LC Indazole compounds useful as ketohexokinase inhibitors US Patent  US9771375 Publication Date 9/26/2017 
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:
BDBM130634
Synonyms:
US8822447, 126 | US9771375, Example 126
Type:
Small organic molecule
Emp. Form.:
C23H27F2N5S
Mol. Mass.:
443.556
SMILES:
CSc1nn(-c2cc(F)cc(F)c2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1
Structure:
Search PDB for entries with ligand similarity: