Interaction Scheme

Molecule

Trans 4  4 %28dimethylamino%29styryl  1 methylpyridinium p toluenesulfonate
N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene...

c = 50.0 µM

Host

Scx6
sCx6

c = 0.0 — 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅105 M-1
Kd =
logKa = 5.0
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -28.54 -6.82
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 470.0 nm
𝛌em = 570.0 nm
IboundIfree = 0.02
Detailed information about the solvation.
Solvent System Buffer System phosphate MeOH pH-7.2
Solvents water 95.0 %
methanol 5.0 %
Additives Sodium hydroxide
Sodium dihydro...
Source of Concentration estimated
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

N. Korbakov, P. Timmerman, N. Lidich, B. Urbach, A. Sa'ar, S. Yitzchaik, SupraBank 2024, Acetylcholine Detection at Micromolar Concentrations with the Use of an Artificial Receptor-Based Fluorescence Switch (dataset). https://doi.org/10.34804/supra.20210928358

Link: https://doi.org/10.34804/supra.20210928358
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Korbakov, P. Timmerman, N. Lidich, B. Urbach, A. Sa'ar, S. Yitzchaik, Langmuir 2008, 24, 2580–2587.

Link: https://doi.org/10.1021/la703010z
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of N-methyl-N-(4-(2-(1-methylpyridin-4(1H)-ylidene)ethylidene)cyclohexa-2,5-dien-1-ylidene)methanaminium (0.0002 M) and sCx6 (0 — 0.0004 M).