Interaction Scheme
Molecule
(E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopent...
c = 20.0 µM
Host
CB7
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.29⋅105 | ± 1.06⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.6 | ± 0.11 | -7.31 | ± 0.03 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Absorbance | |||
| 𝛌abs | = | 456.0 nm | ||
| Abound⁄Afree | = | 0.79 | ||
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. Isaacs, E. Chernikova, D. Berdnikova, Y. Fedorov, O. Fedorova, A. Peregudov, SupraBank 2024, Self-assembly of a ternary architecture driven by cooperative Hg2+ ion binding between cucurbit[7]uril and crown ether macrocyclic hosts (dataset). https://doi.org/10.34804/supra.20210928296 |
| Link: | https://doi.org/10.34804/supra.20210928296 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
E. Chernikova, D. Berdnikova, Y. Fedorov, O. Fedorova, A. Peregudov, L. Isaacs, Chem. Commun. 2012, 48, 7256. |
| Link: | https://doi.org/10.1039/C2CC33243D |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of (E)-4-(4-(1,4-dioxa-7,13-dithia-10-azacyclopentadecan-10-yl)styryl)-1-methylpyridin-1-ium (8.730316464805017e-05 M) and CB7 (0 — 0.00017460632929610034 M).
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