Interaction Scheme
Molecule
Mesylate
c = 0.0 — 374.0 µM
Host
Bn12F60Bambu
c = 170.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.20⋅106 | ± 2.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 30.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -38.44 | ± 0.12 | -9.19 | ± 0.03 |
| ΔH | = | -29.11 | ± 0.1 | -6.96 | ± 0.02 |
| -TΔS | = | -9.23 | -2.21 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 30.4 | 7.3 | ||
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: | cell | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | acetonitrile |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Valkenier, O. Akrawi, P. Jurček, K. Sleziaková, T. Lízal, K. Bartik, V. Šindelář, SupraBank 2024, Fluorinated Bambusurils as Highly Effective and Selective Transmembrane Cl−/HCO3− Antiporters (dataset). https://doi.org/10.34804/supra.2021092826 |
| Link: | https://doi.org/10.34804/supra.2021092826 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H. Valkenier, O. Akrawi, P. Jurček, K. Sleziaková, T. Lízal, K. Bartik, V. Šindelář, Chem 2019, 5, 429–444. |
| Link: | https://doi.org/10.1016/j.chempr.2018.11.008 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Mesylate (4.7619047619047615e-06 M) and Bn12F60Bambu (0 — 9.523809523809523e-06 M).
Please sign in: customize the simulation by signing in to the SupraBank.
