Interaction Scheme
Molecule
Soman
Host
sCx4
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 75.0 | ± 2.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 20.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -10.52 | ± 0.07 | -2.51 | ± 0.02 |
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 | Buffer System | 250 mM deuterated phosphate pD-7.0 |
| Solvents | Deuterium Oxide | |
| Additives | Disodium hydrog... | 144.5 mM |
| Sodium dihydrog... | 105.5 mM | |
| Source of Concentration | real | |
| Total concentration | 250.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
J. Ede, P. Cragg, M. Sambrook, SupraBank 2025, Comparison of Binding Affinities of Water-Soluble Calixarenes with the Organophosphorus Nerve Agent Soman (GD) and Commonly-Used Nerve Agent Simulants (dataset). https://doi.org/10.34804/supra.20210928394 |
| Link: | https://doi.org/10.34804/supra.20210928394 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. Ede, P. Cragg, M. Sambrook, Molecules 2018, 23, 207. |
| Link: | https://doi.org/10.3390/molecules23010207 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Soman (0.26666666666666666 M) and sCx4 (0 — 0.5333333333333333 M).
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