Interaction

curated

Interaction Scheme

Molecule

Untitled
ACh

c = 0.0 — 1000.0 µM

Host

Scx6
sCx6

c = 6000.0 µM

Indicator

4 %28e%29 2 %283 10a dihydropyren 1 yl%29vinyl 1 methyl pyridine
4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-meth...

c = 100.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1174.9 ± 27.06 M-1
Kd =
logKa = 3.07 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.52 ± 0.06 -4.19 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 430.0 nm
𝛌em = 580.0 nm
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate MeOH pH-8
Solvents water 50.0 %
methanol 50.0 %
Additives phosphate 100.0 mM
Source of Concentration
Total concentration 100.0 mM
pH 8.0
Please find here information about the dataset this interaction is part of.
Citation:

K. N. Koh, K. Araki, A. Ikeda, H. Otsuka, S. Shinkai, SupraBank 2024, Reinvestigation of Calixarene-Based Artificial-Signaling Acetylcholine Receptors Useful in Neutral Aqueous (Water/Methanol) Solution (dataset). https://doi.org/10.34804/supra.20210928401

Link: https://doi.org/10.34804/supra.20210928401
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. N. Koh, K. Araki, A. Ikeda, H. Otsuka, S. Shinkai, J. Am. Chem. Soc. 1996, 118, 755–758.

Link: https://doi.org/10.1021/ja951488k
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of ACh (0.017022725338326664 M) and sCx6 (0 — 0.03404545067665333 M).