Interaction Scheme

Molecule

Pancuronium
Pancuronium

Host

Spa6
sP6A

Indicator

Hexane 1 6 diaminium chloride
Hexanediamine dihydrochloride

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7.35⋅1010 ± 1.23⋅1010 M-1
Kd =
logKa = 10.87 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -62.03 ± 0.42 -14.83 ± 0.1
ΔH = -69.04 ± 0.9 -16.5 ± 0.22
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Indicator: syringe
Detailed information about the solvation.
Solvent System Buffer System 20 mM phosphate pH-7.4
Solvents water
Additives Sodium dihydrog... 20.0 mM
Source of Concentration
Total concentration 20.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

W. Xue, P. Zavalij, L. Isaacs, SupraBank 2021, Pillar[ n ]MaxQ: A New High Affinity Host Family for Sequestration in Water (dataset). https://doi.org/10.34804/supra.2021092890

Link: https://doi.org/10.34804/supra.2021092890
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

W. Xue, P. Y. Zavalij, L. Isaacs, Angew. Chem. Int. Ed. 2020, 59, 13313–13319.

Link: https://doi.org/10.1002/anie.202005902
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Pancuronium (2.7210884353741494e-10 M) and sP6A (0 — 5.442176870748299e-10 M).