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Target
Ketohexokinase
Ligand
BDBM50241178
Substrate
n/a
Meas. Tech.
ChEMBL_1843863 (CHEMBL4344290)
IC50
340±n/a nM
Citation
 Romero, FA; Jones, CT; Xu, Y; Fenaux, M; Halcomb, RL The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. J Med Chem 63:5031-5073 (2020) [PubMed]  Article 
Target
Name:
Ketohexokinase
Synonyms:
2.7.1.3 | Hepatic fructokinase | KHK_RAT | Ketohexokinase | Khk
Type:
PROTEIN
Mol. Mass.:
32749.44
Organism:
Rattus norvegicus
Description:
ChEMBL_117528
Residue:
298
Sequence:
MEEKQILCVGLVVLDIINVVDKYPEEDTDRRCLSQRWQRGGNASNSCTVLSLLGARCAFMGSLAHGHVADFLVADFRRRGVDVSQVAWQSQGDTPCSCCIVNNSNGSRTIILYDTNLPDVSAKDFEKVDLTRFKWIHIEGRNASEQVKMLQRIEQYNATQPLQQKVRVSVEIEKPREELFQLFGYGEVVFVSKDVAKHLGFRSAGEALKGLYSRVKKGATLICAWAEEGADALGPDGQLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSKGNSMQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
Name:
BDBM50241178
Synonyms:
CHEMBL4070442
Type:
Small organic molecule
Emp. Form.:
C16H19F3N4O3
Mol. Mass.:
372.3423
SMILES:
C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r|
Structure:
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