Interaction Scheme

Molecule

Untitled
EY

c = 0.5 µM

Host

%e6%8d%95%e8%8e%b7
gCx4-OEG

c = 0.0 — 13.8 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.37⋅105 ± 1.20⋅104 M-1
Kd =
logKa = 5.37 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.68 ± 0.13 -7.33 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 517.0 nm
𝛌em = 537.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM HEPES pH-7.4
Solvents water 100.0 %
Additives Hepes 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, R. Wang, Q. Huang, H. Zhao, M. Shui, SupraBank 2024, Heparin reversal by an oligoethylene glycol functionalized guanidinocalixarene (dataset). https://doi.org/10.34804/supra.20210928258

Link: https://doi.org/10.34804/supra.20210928258
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Q. Huang, H. Zhao, M. Shui, D.-S. Guo, R. Wang, Chem. Sci. 2020, 11, 9623–9629.

Link: https://doi.org/10.1039/d0sc03922e
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of EY (8.438818565400843e-05 M) and gCx4-OEG (0 — 0.00016877637130801687 M).