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TargetKetohexokinase
LigandBDBM50349744
Substrate/Competitorn/a
Meas. Tech.ChEMBL_759463
IC50 87±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 Lett21:4762-7 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ketohexokinase
Name:Ketohexokinase
Synonyms:Hepatic fructokinase | Ketohexokinase (KHK)
Type:Enzyme
Mol. Mass.:32521.64
Organism:Homo sapiens (Human)
Description:P50053
Residue:298
Sequence:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50349744
NameBDBM50349744
Synonyms:CHEMBL1809171 | US8822447, 140 | US9771375, Example 140
TypeSmall organic molecule
Emp. Form.C20H21N3OS
Mol. Mass.351.465
SMILESCOc1ccc(cc1)-n1nc(SC)c2ccc(cc12)C1=CCNCC1 |t:22|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a