Target
Ketohexokinase
Ligand
BDBM50349745
Substrate
n/a
Meas. Tech.
Enzyme Assay
Temperature
298.15±n/a K
IC50
490±n/a nM
Comments
extracted
Citation
 Zhang, XAbad, MCGibbs, ACKuo, GKuo, LCSong, FSui, Z Indazole compounds useful as ketohexokinase inhibitors US Patent  US8822447 Publication Date 9/2/2014 
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:
BDBM50349745
Synonyms:
CHEMBL1809172 | US8822447, 124 | US9771375, Example 124
Type:
Small organic molecule
Emp. Form.:
C19H18N4O2S
Mol. Mass.:
366.437
SMILES:
CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCNCC1 |t:23|
Structure:
Search PDB for entries with ligand similarity: