Interaction Scheme
Molecule
D/L-Ala
Host
sCx4-mono(CH2CO2H)
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 83.0 | ± 18.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -10.95 | ± 0.55 | -2.62 | ± 0.13 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 95.0 % |
| Deuterium Oxide | 5.0 % | |
| pH | 8.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
E. Da Silva, A. W. Coleman, SupraBank 2024, Synthesis and complexation properties towards amino acids of mono-substituted p-sulphonato-calix-[n]-arenes (dataset). https://doi.org/10.34804/supra.2021092817 |
| Link: | https://doi.org/10.34804/supra.2021092817 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
E. Da Silva, A. W. Coleman, Tetrahedron 2003, 59, 7357–7364. |
| Link: | https://doi.org/10.1016/S0040-4020(03)01137-2 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of D/L-Ala (0.24096385542168675 M) and sCx4-mono(CH2CO2H) (0 — 0.4819277108433735 M).
Please sign in: customize the simulation by signing in to the SupraBank.
