Interaction

curated

Interaction Scheme

Molecule

Untitled
Tyramine

Host

Cb7
CB7

c = 30.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.30⋅106 ± 1.00⋅105 M-1
Kd =
logKa = 6.36 ± 0.02
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.92 ± 0.11 -8.82 ± 0.03
ΔH = -35.56 ± 0.41 -8.5 ± 0.1
-TΔS = -0.83 ± 0.41 -0.2 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = 2.7 ± 1.4 0.7 ± 0.3
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: cell
Detailed information about the solvation.
Solvent System Buffer System 10 mM ammonium acetate pH-6.0
Solvents water 100.0 %
Additives Ammonium acetate 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 6.0
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, V. D. Uzunova, A. Hennig, D. M. Bailey, SupraBank 2024, Supramolecular Tandem Enzyme Assays for Multiparameter Sensor Arrays and Enantiomeric Excess Determination of Amino Acids (dataset). https://doi.org/10.34804/supra.20210928260

Link: https://doi.org/10.34804/supra.20210928260
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

D. M. Bailey, A. Hennig, V. D. Uzunova, W. M. Nau, Chem. Eur. J. 2008, 14, 6069–6077.

Link: https://doi.org/10.1002/chem.200800463
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Tyramine (8.695652173913043e-06 M) and CB7 (0 — 1.7391304347826085e-05 M).