Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM50349755
Substrate
n/a
Meas. Tech.
ChEMBL_759463 (CHEMBL1810789)
IC50
590±n/a nM
Citation
 Zhang, X; Song, F; Kuo, GH; Xiang, A; Gibbs, AC; Abad, MC; Sun, W; Kuo, LC; Sui, 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:
BDBM50349755
Synonyms:
CHEMBL1809182 | US8822447, 50 | US9771375, Example 50
Type:
Small organic molecule
Emp. Form.:
C21H24N4
Mol. Mass.:
332.4421
SMILES:
CCc1nn(-c2ccccc2)c2cc(ccc12)N1CC2CNCC2C1
Structure:
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