Interaction Scheme
Molecule
4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...
c = 100.0 µM
Host
Cx4R
c = 200.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.30⋅105 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.6 | ± NaN | -7.31 | ± 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 | = | 567.0 nm | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | methanol | |
| Additives | Potassium hydro... | 10.0 mM |
| Total concentration | 10.0 mM |
Please find here information about the dataset this interaction is part of.
| Citation: |
M. Inouye, K. Hashimoto, K. Isagawa, SupraBank 2025, Nondestructive Detection of Acetylcholine in Protic Media: Artificial-Signaling Acetylcholine Receptors (dataset). https://doi.org/10.34804/supra.20210928353 |
| Link: | https://doi.org/10.34804/supra.20210928353 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. Inouye, K.-ichi Hashimoto, K. Isagawa, J. Am. Chem. Soc. 1994, 116, 5517–5518. |
| Link: | https://doi.org/10.1021/ja00091a085 |
| 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 (8.695652173913044e-05 M) and Cx4R (0 — 0.00017391304347826088 M).
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