Interaction Scheme

Molecule

Procaine hydrochloride
Procaine hydrochloride

Host

Scx5 sodium salt
sCx5 sodium salt

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1630.0 ± 10.0 M-1
Kd =
logKa = 3.21 ± 0.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.34 ± 0.02 -4.38 ± 0.0
ΔH = -26.07 ± 0.16 -6.23 ± 0.04
-TΔS = 7.75 ± 0.16 1.85 ± 0.04
J mol-1 K-1 cal mol-1 K-1
ΔS = -26.0 ± 0.5 -6.2 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Additives Disodium hydrog... 66.6 mM
Sodium dihydrog... 33.4 mM
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

Q. Li, D. Guo, H. Qian, Y. Liu, SupraBank 2024, Complexation of p-Sulfonatocalixarenes with Local Anaesthetics Guests: Binding Structures, Stabilities, and Thermodynamic Origins (dataset). https://doi.org/10.34804/supra.202109283

Link: https://doi.org/10.34804/supra.202109283
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

Q. Li, D.-S. Guo, H. Qian, Y. Liu, Eur. J. Org. Chem. 2012, 2012, 3962–3971.

Link: https://doi.org/10.1002/ejoc.201200515
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Procaine hydrochloride (0.012269938650306749 M) and sCx5 sodium salt (0 — 0.024539877300613498 M).