Interaction

curated

Interaction Scheme

Molecule

Indole
Indole

c = 0.0 — 57.0 µM

Host

Cb8
CB8

c = 10.0 µM

Cofactor

Mdpt
2,7-Dimethyldiazaphenanthrenium

c = 10.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.10⋅106 ± 2.00⋅105 M-1
Kd =
logKa = 6.04 ± 0.08
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.48 ± 0.46 -8.24 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 360.0 nm
𝛌em = 405.0 nm
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:

A. E. Kaifer, Y. Ling, W. Wang, SupraBank 2024, A new cucurbit[8]uril-based fluorescent receptor for indole derivatives (dataset). https://doi.org/10.34804/supra.202109289

Link: https://doi.org/10.34804/supra.202109289
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Ling, W. Wang, A. E. Kaifer, Chem. Commun. 2007, 610–612.

Link: https://doi.org/10.1039/b611559d
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Indole (1.8181818181818182e-05 M) and CB8 (0 — 3.6363636363636364e-05 M).