Interaction Scheme
Molecule
(S)-Propranolol hydrochloride
Host
CB8
c = 100.0 µM
Cofactor
MDAP
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3000.0 | ± 300.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 22.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.65 | ± 0.25 | -4.7 | ± 0.06 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Associative Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 419.0 nm | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, F. Biedermann, SupraBank 2024, Noncovalent Chirality Sensing Ensembles for the Detection and Reaction Monitoring of Amino Acids, Peptides, Proteins, and Aromatic Drugs (dataset). https://doi.org/10.34804/supra.20210928387 |
| Link: | https://doi.org/10.34804/supra.20210928387 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, W. M. Nau, Angew. Chem. Int. Ed. 2014, 53, 5694–5699. |
| Link: | https://doi.org/10.1002/anie.201400718 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of (S)-Propranolol hydrochloride (0.006666666666666667 M) and CB8 (0 — 0.013333333333333334 M).
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