Interaction Scheme
Molecule
Calcium chloride
c = 0.0 — 120000.0 µM
Host
CB6
c = 0.5 µM
Indicator
DSMI
c = 3.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.66⋅104 | ± 3855.2 | M-1 |
| Kd = | 60 | ± 14 | µM |
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -24.09 | ± 0.59 | -5.76 | ± 0.14 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | |||
| Assay Type: | Competitive Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 450.0 nm | ||
| 𝛌em | = | 580.0 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: |
L. Biczok, S. Zhang, L. M. Grimm, Z. Miskolczy, F. Biedermann, W. Nau, SupraBank 2025, Binding affinities of cucurbit[n]urils with cations (dataset). https://doi.org/10.34804/supra.2021092849 |
| Link: | https://doi.org/10.34804/supra.2021092849 |
| Export: | Bibtex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. Zhang, L. Grimm, Z. Miskolczy, L. Biczók, F. Biedermann, W. M. Nau, Chem. Commun. 2019, 55, 14131–14134. |
| Link: | https://doi.org/10.1039/C9CC07687E |
| Export: | Bibtex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Calcium chloride (0.0012051191049339384 M) and CB6 (0 — 0.002410238209867877 M).
Please sign in: customize the simulation by signing in to the SupraBank.
