Reaction Details Report a problem with these data
Target
Hexokinase-4
Ligand
BDBM50447292
Substrate
n/a
Meas. Tech.
ChEMBL_1296096 (CHEMBL3131525)
EC50
>50000±n/a nM
Citation
 Ashton, KS; Andrews, KL; Bryan, MC; Bryan, MC; Chen, J; Chen, K; Chen, M; Chmait, S; Croghan, M; Cupples, R; Fotsch, C; Helmering, J; Jordan, SR; Kurzeja, RJ; Michelsen, K; Pennington, LD; Poon, SF; Sivits, G; Van, G; Vonderfecht, SL; Wahl, RC; Zhang, J; Lloyd, DJ; Hale, C; St Jean, DJ Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 1. Discovery of a novel tool compound for in vivo proof-of-concept. J Med Chem 57:309-24 (2014) [PubMed]  Article 
Target
Name:
Hexokinase-4
Synonyms:
GCK | Glucokinase (GCK) | Glucokinase (GK) | Glucokinase/Glucokinase regulatory protein | HK IV | HK4 | HXK4_HUMAN | Hexokinase-4 | Hexokinase-D
Type:
Enzyme
Mol. Mass.:
52175.81
Organism:
Homo sapiens (Human)
Description:
P35557
Residue:
465
Sequence:
MLDDRARMEAAKKEKVEQILAEFQLQEEDLKKVMRRMQKEMDRGLRLETHEEASVKMLPTYVRSTPEGSEVGDFLSLDLGGTNFRVMLVKVGEGEEGQWSVKTKHQMYSIPEDAMTGTAEMLFDYISECISDFLDKHQMKHKKLPLGFTFSFPVRHEDIDKGILLNWTKGFKASGAEGNNVVGLLRDAIKRRGDFEMDVVAMVNDTVATMISCYYEDHQCEVGMIVGTGCNACYMEEMQNVELVEGDEGRMCVNTEWGAFGDSGELDEFLLEYDRLVDESSANPGQQLYEKLIGGKYMGELVRLVLLRLVDENLLFHGEASEQLRTRGAFETRFVSQVESDTGDRKQIYNILSTLGLRPSTTDCDIVRRACESVSTRAAHMCSAGLAGVINRMRESRSEDVMRITVGVDGSVYKLHPSFKERFHASVRRLTPSCEITFIESEEGSGRGAALVSAVACKKACMLGQ
  
Inhibitor
Name:
BDBM50447292
Synonyms:
CHEMBL3113979
Type:
Small organic molecule
Emp. Form.:
C23H30F3N3O4S2
Mol. Mass.:
533.627
SMILES:
C[C@H]1COCCN1C[C@H]1CN(CCN1c1ccc(cc1)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r|
Structure:
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