Interaction Scheme
Molecule
4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...
c = 100.0 µM
Host
sCx4
c = 0.0 — 6000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 691.83 | ± 47.83 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -16.21 | ± 0.17 | -3.87 | ± 0.04 |
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 | ||
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 (0.028908835985719035 M) and sCx4 (0 — 0.05781767197143807 M).
Please sign in: customize the simulation by signing in to the SupraBank.
