Interaction Scheme
Molecule
4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)meth...
c = 2.0 µM
Host
CB7
c = 0.0 — 675.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.40⋅104 | ± 700.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -23.67 | ± 0.12 | -5.66 | ± 0.03 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | |||
| Assay Type: | Direct Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 350.0 nm | ||
| 𝛌em | = | 410.0 nm | ||
| Ibound⁄Ifree | = | 45.0 | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture |
| Solvents | water |
| Additives | hydrochloric acid |
| pH | 3.5 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, I. Ghosh, L. Al-Kaabi, N. Saleh, Y. A. Al-Soud, SupraBank 2025, A coumarin-based fluorescent PET sensor utilizing supramolecular pKa shifts (dataset). https://doi.org/10.34804/supra.20210928290 |
| Link: | https://doi.org/10.34804/supra.20210928290 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
N. Saleh, Y. A. Al-Soud, L. Al-Kaabi, I. Ghosh, W. M. Nau, Tetrahedron Letters 2011, 52, 5249–5254. |
| Link: | https://doi.org/10.1016/j.tetlet.2011.07.138 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-7-methoxy-2H-chromen-2-one (0.0014285714285714286 M) and CB7 (0 — 0.002857142857142857 M).
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