Target
Hexokinase-4
Ligand
BDBM50447280
Substrate
n/a
Meas. Tech.
ChEMBL_1291251 (CHEMBL3117036)
IC50
645±n/a nM
Citation
 St Jean, DJAshton, KSBartberger, MDChen, JChmait, SCupples, RGalbreath, EHelmering, JHong, FTJordan, SRLiu, LKunz, RKMichelsen, KNishimura, NPennington, LDPoon, SFReid, DSivits, GStec, MMTadesse, STamayo, NVan, GYang, KCZhang, JNorman, MHFotsch, CLloyd, DJHale, 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 | 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:
BDBM50447280
Synonyms:
CHEMBL3113997
Type:
Small organic molecule
Emp. Form.:
C19H19F6N3O3S
Mol. Mass.:
483.428
SMILES:
Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Structure:
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