Interaction Scheme
Molecule
2-(2-amino-3-phenylpropanamido)-4-(methylthio)b...
c = 0.0 — 55.0 µM
Host
CB7
c = 5.0 µM
Indicator
AO HCl
c = 0.5 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.50⋅107 | ± 5.00⋅106 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 37.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -42.61 | ± 0.86 | -10.18 | ± 0.21 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | |||
| Assay Type: | Competitive Binding Assay | |||
| Technique: | Fluorescence | |||
| 𝛌ex | = | 485.0 nm | ||
| 𝛌em | = | 510.0 nm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM ammonium phosphate pH-7.2 |
| Solvents | water | 100.0 % |
| Additives | Ammonium dihydr... | 10.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 10.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, A. R. Urbach, V. Ramalingam, G. Ghale, SupraBank 2024, Determining Protease Substrate Selectivity and Inhibition by Label-Free Supramolecular Tandem Enzyme Assays (dataset). https://doi.org/10.34804/supra.20210928160 |
| Link: | https://doi.org/10.34804/supra.20210928160 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
G. Ghale, V. Ramalingam, A. R. Urbach, W. M. Nau, J. Am. Chem. Soc. 2011, 133, 7528–7535. |
| Link: | https://doi.org/10.1021/ja2013467 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-(2-amino-3-phenylpropanamido)-4-(methylthio)butanamide (1.3333333333333334e-06 M) and CB7 (0 — 2.666666666666667e-06 M).
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