Interaction Scheme
Molecule
4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...
c = 100.0 µM
Host
sCx6
c = 0.0 — 6000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5754.4 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -21.46 | ± NaN | -5.13 | ± NaN |
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 | = | 580.0 nm | ||
| Ibound⁄Ifree | = | 5.0 | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM phosphate MeOH pH-8 |
| Solvents | water | 50.0 % |
| methanol | 50.0 % | |
| Additives | phosphate | 100.0 mM |
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 8.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. N. Koh, K. Araki, A. Ikeda, H. Otsuka, S. Shinkai, SupraBank 2025, Reinvestigation of Calixarene-Based Artificial-Signaling Acetylcholine Receptors Useful in Neutral Aqueous (Water/Methanol) Solution (dataset). https://doi.org/10.34804/supra.20210928401 |
| Link: | https://doi.org/10.34804/supra.20210928401 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
K. N. Koh, K. Araki, A. Ikeda, H. Otsuka, S. Shinkai, J. Am. Chem. Soc. 1996, 118, 755–758. |
| Link: | https://doi.org/10.1021/ja951488k |
| 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 (0.003475601279021271 M) and sCx6 (0 — 0.006951202558042542 M).
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