Interaction Scheme
Molecule
1,4‐diaminocyclohexane
c = 2500.0 µM
Host
CB7
c = 2500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.30⋅108 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | 621000000.0 | ± | M-1s-1 |
| kout= | 2.7 | ± | s-1 |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -47.73 | -11.41 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 2D-EXSY spectroscopy | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | Deuterium Oxide | |
| Additives | Sodium sulfate | 5.0 mM |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Isaacs, P. Y. Zavalij, P. Mukhopadhyay, SupraBank 2024, High Fidelity Kinetic Self-Sorting in Multi-Component Systems Based on Guests with Multiple Binding Epitopes (dataset). https://doi.org/10.34804/supra.20210928343 |
| Link: | https://doi.org/10.34804/supra.20210928343 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
P. Mukhopadhyay, P. Y. Zavalij, L. Isaacs, J. Am. Chem. Soc. 2006, 128, 14093–14102. |
| Link: | https://doi.org/10.1021/ja063390j |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,4‐diaminocyclohexane (8.695652173913044e-08 M) and CB7 (0 — 1.7391304347826088e-07 M).
Please sign in: customize the simulation by signing in to the SupraBank.
