Interaction Scheme
Molecule
4,9-diaminodiamantane
c = 0.0 — 295.8 µM
Host
CB7
c = 251.8 µM
Indicator
Azanylpropyl trimethyl silane
c = 1352.5 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.30⋅1011 | ± 3.00⋅1010 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -63.44 | ± 0.58 | -15.16 | ± 0.14 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Competitive | ||
| Assay Type: | Competitive Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
| = | 0.13 ppm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 50 mM deuterated acetate pD-4.7 |
| Solvents | Deuterium Oxide | 100.0 % |
| Additives | Na-2,2,2-trideu... | 50.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 50.0 mM | |
| pH | 4.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. Isaacs, P. Y. Zavalij, L. Cao, M. Šekutor, K. Mlinarić-Majerski, R. Glaser, SupraBank 2024, Cucurbit[7]uril⋅Guest Pair with an Attomolar Dissociation Constant (dataset). https://doi.org/10.34804/supra.20210928245 |
| Link: | https://doi.org/10.34804/supra.20210928245 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. Cao, M. Šekutor, P. Y. Zavalij, K. Mlinarić-Majerski, R. Glaser, L. Isaacs, Angew. Chem. Int. Ed. 2014, 53, 988–993. |
| Link: | https://doi.org/10.1002/anie.201309635 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 4,9-diaminodiamantane (1.5384615384615385e-10 M) and CB7 (0 — 3.076923076923077e-10 M).
Please sign in: customize the simulation by signing in to the SupraBank.
