Interaction Scheme

Molecule

Untitled
tiludronate

c = 0.0 — 10.4 µM

Host

Gc5a
gCx5-6C

c = 0.9 µM

Indicator

Fluorescein
Fluorescein

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.31⋅106 ± 9.70⋅105 M-1
Kd =
logKa = 6.92 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -39.5 ± 0.29 -9.44 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 500.0 nm
𝛌em = 514.0 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:

J. Gao, D. Guo, Z. Zheng, L. Shi, S. Wu, H. Sun, SupraBank 2024, Strong binding and fluorescence sensing of bisphosphonates by guanidinium-modified calix[5]arene (dataset). https://doi.org/10.34804/supra.20210928151

Link: https://doi.org/10.34804/supra.20210928151
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Gao, Z. Zheng, L. Shi, S.-Q. Wu, H. Sun, D.-S. Guo, Beilstein J. Org. Chem. 2018, 14, 1840–1845.

Link: https://doi.org/10.3762/bjoc.14.157%20
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of tiludronate (2.406738868832732e-06 M) and gCx5-6C (0 — 4.813477737665464e-06 M).