Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM50330259
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
590±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:
BDBM50330259
Synonyms:
CHEMBL1236391 | N-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperidine-4-carboxamide | N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide | US8822447, 6 | US9771375, Example 6
Type:
Small organic molecule
Emp. Form.:
C20H22N4OS
Mol. Mass.:
366.48
SMILES:
CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12
Structure:
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