Target
Ketohexokinase
Ligand
BDBM8368
Substrate
n/a
Meas. Tech.
ChEMBL_759463 (CHEMBL1810789)
IC50
42±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:
BDBM8368
Synonyms:
CHEMBL1809167 | US8822447, 106 | US8822448, 179 | US9771375, Example 106
Type:
n/a
Emp. Form.:
C19H18FN3S
Mol. Mass.:
339.43
SMILES:
CSc1nn(-c2cccc(F)c2)c2cc(ccc12)C1=CCNCC1 |t:21|
Structure:
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