Interaction

curated

Interaction Scheme

Molecule

Gly phe
Gly-Phe

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1300.0 ± 200.0 M-1
Kd =
logKa = 3.11 ± 0.07
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.77 ± 0.38 -4.25 ± 0.09
ΔH = -29.9 ± 0.3 -7.15 ± 0.07
-TΔS = 12.2 ± 0.4 2.92 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -40.9 ± 1.3 -9.8 ± 0.3
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 Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271

Link: https://doi.org/10.34804/supra.20210928271
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10.

Link: https://doi.org/10.1007/s10847-012-0137-5
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-Phe (0.015384615384615385 M) and CB7 (0 — 0.03076923076923077 M).