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Target
Ketohexokinase
Ligand
BDBM50389315
Substrate
n/a
Meas. Tech.
ChEMBL_831738 (CHEMBL2065101)
IC50
4600±n/a nM
Citation
 Maryanoff, BE; O'Neill, JC; McComsey, DF; Yabut, SC; Luci, DK; Gibbs, AC; Connelly, MA Pyrimidinopyrimidine inhibitors of ketohexokinase: exploring the ring C2 group that interacts with Asp-27B in the ligand binding pocket. Bioorg Med Chem Lett 22:5326-9 (2012) [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:
BDBM50389315
Synonyms:
CHEMBL2063920
Type:
Small organic molecule
Emp. Form.:
C22H26N8S
Mol. Mass.:
434.56
SMILES:
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1C[C@@H]2C[C@H]1CN2 |r|
Structure:
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