Interaction Scheme
Molecule
2-PB
c = 10.0 µM
Host
CB7
c = 0.0 — 540.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.40⋅105 | ± 4.60⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.71 | ± 0.48 | -7.34 | ± 0.11 |
| ΔH | = | -39.04 | ± 6.3 | -9.33 | ± 1.51 |
| -TΔS | = | 13.97 | 3.34 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -46.9 | -11.2 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal iTC200 | ||
| VCell | = | 200.0 𝜇L | |
| VSyringe | = | 50.0 𝜇L | |
| Molecule: | cell | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
S. A. Ahmed, D. Seth, SupraBank 2024, Thermodynamic analysis of binding of benzimidazole derivative with cucurbit[7]uril: A isothermal titration calorimetry study (dataset). https://doi.org/10.34804/supra.20240326535 |
| Link: | https://doi.org/10.34804/supra.20240326535 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. A. Ahmed, D. Seth, Journal of Molecular Liquids 2018, 254, 70–75. |
| Link: | https://doi.org/10.1016/j.molliq.2018.01.082%20 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-PB (8.333333333333333e-05 M) and CB7 (0 — 0.00016666666666666666 M).
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