Interaction Scheme
Molecule
Trimethyllysine
Host
Cx4R-(CN)4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.70⋅104 | ± 1.70⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -26.67 | ± 0.94 | -6.37 | ± 0.22 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 40 mM deuterated phosphate pD-7.4 |
| Solvents | Deuterium Oxide | 100.0 % |
| Additives | Disodium hydrog... | 30.2 mM |
| Sodium dihydrog... | 9.8 mM | |
| Source of Concentration | ||
| Total concentration | 40.0 mM | |
| pH | 7.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Peacock, C. C. Thinnes, A. Kawamura, A. D. Hamilton, SupraBank 2025, Tetracyanoresorcin[4]arene selectively recognises trimethyllysine and inhibits its enzyme-catalysed demethylation (dataset). https://doi.org/10.34804/supra.20210928212 |
| Link: | https://doi.org/10.34804/supra.20210928212 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Peacock, C. C. Thinnes, A. Kawamura, A. D. Hamilton, Supramolecular Chemistry 2016, 28, 575–581. |
| Link: | https://doi.org/10.1080/10610278.2016.1140898 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Trimethyllysine (0.000425531914893617 M) and Cx4R-(CN)4 (0 — 0.000851063829787234 M).
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