Reaction Details Report a problem with these data
Target
Hexokinase-4
Ligand
BDBM50533462
Substrate
n/a
Meas. Tech.
ChEMBL_1925588 (CHEMBL4428660)
Kd
720±n/a nM
Citation
 Mollica, L; Theret, I; Antoine, M; Perron-Sierra, F; Charton, Y; Fourquez, JM; Wierzbicki, M; Boutin, JA; Ferry, G; Decherchi, S; Bottegoni, G; Ducrot, P; Cavalli, A Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times. J Med Chem 59:7167-76 (2016) [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:
BDBM50533462
Synonyms:
CHEMBL4534484
Type:
Small organic molecule
Emp. Form.:
C21H24N2O5
Mol. Mass.:
384.4257
SMILES:
CC(C)Oc1cc(OC(C)C)cc(c1)C(=O)Nc1ccc(\C=C\C(O)=O)cn1
Structure:
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