Interaction Scheme
Molecule
Alprenolol
c = 1.14 µM
Host
Tetraphosphonate cyclophane
c = 0.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7117.0 | ± 569.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.14 | ± 0.2 | -5.29 | ± 0.05 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| = | 1.1 ppm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | Deuterium Oxide |
Please find here information about the dataset this interaction is part of.
| Citation: |
T. Schrader, O. Molt, D. Rübeling, G. Schäfer, SupraBank 2024, Adrenaline Recognition in Water (dataset). https://doi.org/10.34804/supra.20210928324 |
| Link: | https://doi.org/10.34804/supra.20210928324 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
O. Molt, D. Rübeling, G. Schäfer, T. Schrader, Chem. Eur. J. 2004, 10, 4225–4232. |
| Link: | https://doi.org/10.1002/chem.200400100 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Alprenolol (0.002810172825628776 M) and Tetraphosphonate cyclophane (0 — 0.005620345651257552 M).
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