Interaction Scheme

Molecule

Untitled
Cyclohexylmethanaminium

Host

Cb7
CB7

Indicator

Untitled
1,6-Hexandiammonium

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅1011 ± 4.00⋅1010 M-1
Kd =
logKa = 11.11 ± 0.14
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -63.44 ± 0.79 -15.16 ± 0.19
ΔH = -57.8 ± 1.5 -13.81 ± 0.36
-TΔS = -5.6 ± 1.5 -1.34 ± 0.36
J mol-1 K-1 cal mol-1 K-1
ΔS = 18.8 ± 5.0 4.5 ± 1.2
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MicroCal VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
Molecule: syringe
Partner: cell
Indicator: cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

M. V. Rekharsky, T. Mori, C. Yang, Y. H. Ko, N. Selvapalam, H. Kim, D. Sobransingh, A. E. Kaifer, S. Liu, L. Isaacs, W. Chen, S. Moghaddam, M. K. Gilson, K. Kim, Y. Inoue, SupraBank 2022, A synthetic host-guest system achieves avidin-biotin affinity by overcoming enthalpy-entropy compensation (dataset). https://doi.org/10.34804/supra.20210928129

Link: https://doi.org/10.34804/supra.20210928129
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. V. Rekharsky, T. Mori, C. Yang, Y. H. Ko, N. Selvapalam, H. Kim, D. Sobransingh, A. E. Kaifer, S. Liu, L. Isaacs, et al., Proceedings of the National Academy of Sciences 2007, 104, 20737–20742.

Link: https://doi.org/10.1073/pnas.0706407105
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Cyclohexylmethanaminium (1.5384615384615385e-10 M) and CB7 (0 — 3.076923076923077e-10 M).