Interaction Scheme
Molecule
Phenyltrimethylammonium
c = 200000.0 — 500000.0 µM
Host
Cx4-CH2COOH
c = 5000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 158.49 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -12.56 | -3.0 | ||
| ΔH | = | 20.5016 | 4.9 | ||
| -TΔS | = | 7.9496 | 1.9 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -26.7 | -6.4 | ||
- Comment
- Please check thermodynamic parameters.
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| 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: |
SupraBank 2021, Please fill title and authors manually 10.1002/(SICI)1521-3765(19990201)5:2<738::AID-CHEM738>3.0.CO;2-6 (dataset). https://doi.org/10.34804/supra.20210928339 |
| Link: | https://doi.org/10.34804/supra.20210928339 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
|
| Link: | https://doi.org/10.1002/(SICI)1521-3765(19990201)5:2%3C738::AID-CHEM738%3E3.0.CO;2-6 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Phenyltrimethylammonium (0.12619092687235786 M) and Cx4-CH2COOH (0 — 0.2523818537447157 M).
Please sign in: customize the simulation by signing in to the SupraBank.
