Interaction Scheme

Molecule

Tryptamine
Tryptamine

Host

Tmecb6
Symmetric Tetramethyl Cucurbit[6]uril

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.23⋅104 M-1
Kd =
logKa = 4.09
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.35 -5.58
ΔH = -20.5 -4.9
-TΔS = -4.1 -0.98
J mol-1 K-1 cal mol-1 K-1
ΔS = 13.8 3.3
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 phosphate pH-7.0
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

L. Yang, J. Kan, X. Wang, Y. Zhang, Z. Tao, Q. Liu, F. Wang, X. Xiao, SupraBank 2024, Study on the Binding Interaction of the α,α′,δ,δ′-Tetramethylcucurbit[6]uril With Biogenic Amines in Solution and the Solid State (dataset). https://doi.org/10.34804/supra.20240328542

Link: https://doi.org/10.34804/supra.20240328542
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. Yang, J. Kan, X. Wang, Y. Zhang, Z. Tao, Q. Liu, F. Wang, X. Xiao, Front. Chem. 2018, 6, DOI 10.3389/fchem.2018.00289.

Link: https://doi.org/10.3389/fchem.2018.00289

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Tryptamine (0.0016260162601626016 M) and Symmetric Tetramethyl Cucurbit[6]uril (0 — 0.0032520325203252032 M).