Reaction Details Report a problem with these data
Target
Hexokinase-4
Ligand
BDBM50447271
Substrate
n/a
Meas. Tech.
ChEMBL_1291068 (CHEMBL3119630)
EC50
120±n/a nM
Citation
 St Jean, DJ; Ashton, KS; Bartberger, MD; Chen, J; Chmait, S; Cupples, R; Galbreath, E; Helmering, J; Hong, FT; Jordan, SR; Liu, L; Kunz, RK; Michelsen, K; Nishimura, N; Pennington, LD; Poon, SF; Reid, D; Sivits, G; Stec, MM; Tadesse, S; Tamayo, N; Van, G; Yang, KC; Zhang, J; Norman, MH; Fotsch, C; Lloyd, DJ; Hale, C Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles. J Med Chem 57:325-38 (2014) [PubMed]  Article 
Target
Name:
Hexokinase-4
Synonyms:
Gck | Gk | Glucokinase | HK IV | HK4 | HXK4_MOUSE | Hexokinase-4 | Hexokinase-D
Type:
Enzyme
Mol. Mass.:
52075.40
Organism:
Mus musculus (Mouse)
Description:
P52792
Residue:
465
Sequence:
MLDDRARMEATKKEKVEQILAEFQLQEEDLKKVMSRMQKEMDRGLKLETHQEASVKMLPTYVRSTPEGSEVGDFLSLDLGGTNFRVMLVKVGEGEAGQWSVKTKHQMYSIPEDAMTGTAEMLFDYISECISDFLDKHQMKHKKLPLGFTFSFPVRHEDIDKGILLNWTKGFKASGAEGNNIVGLLRDAIKRRGDFEMDVVAMVNDTVATMISCYYEDRQCEVGMIVGTGCNACYMEEMQNVELVEGDEGRMCVNTEWGAFGNSGELDEFLLEYDRMVDESSVNPGQQLYEKIIGGKYMGELVRLVLLKLVEENLLFHGEASEQLRTRGAFETRFVSQVESDSGDRRQILNILSTLGLRPSVADCDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDGSVYKLHPSFKERFHASVRRLTPNCEITFIESEEGSGRGAALVSAVACKKACMLGQ
  
Inhibitor
Name:
BDBM50447271
Synonyms:
CHEMBL3114187
Type:
Small organic molecule
Emp. Form.:
C21H23F3N4O3S
Mol. Mass.:
468.493
SMILES:
CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Structure:
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