Interaction Scheme
Molecule
4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...
c = 0.2 µM
Host
Cx4R-(CN)4
c = 0.0 — 0.85 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.26⋅106 | ± 1.56⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -37.84 | ± 0.95 | -9.04 | ± 0.23 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 430.0 nm | ||
| 𝛌em | = | 570.0 nm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-8.0 |
| Solvents | water | |
| Additives | Sodium dihydrog... | |
| Disodium hydrog... | ||
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 8.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
S. Tan, W. Chen, A. Satake, B. Wang, Z. Xu, Y. Kobuke, SupraBank 2024, Tetracyanoresorcin[4]arene as a pH dependent artificial acetylcholine receptor (dataset). https://doi.org/10.34804/supra.20210928342 |
| Link: | https://doi.org/10.34804/supra.20210928342 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S.-D. Tan, W.-H. Chen, A. Satake, B. Wang, Z.-L. Xu, Y. Kobuke, Org. Biomol. Chem. 2004, 2, 2719. |
| Link: | https://doi.org/10.1039/B410296G |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine (4.6948356807511736e-06 M) and Cx4R-(CN)4 (0 — 9.389671361502347e-06 M).
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