Reaction Details Report a problem with these data
Target
Hexokinase-4
Ligand
BDBM50447268
Substrate
n/a
Meas. Tech.
ChEMBL_1291068 (CHEMBL3119630)
EC50
1670±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:
BDBM50447268
Synonyms:
CHEMBL3113990
Type:
Small organic molecule
Emp. Form.:
C24H30F3N3O5S2
Mol. Mass.:
561.637
SMILES:
C[C@@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1[C@H]2C[C@H](O)[C@@H]1COC2)S(=O)(=O)c1cccs1)C(F)(F)F |r,TLB:20:19:16:23.24.22,THB:15:16:18.19:23.24.22|
Structure:
Search PDB for entries with ligand similarity: