Interaction

curated

Interaction Scheme

Molecule

Untitled
2-nitrobenzylmethylethercholine

c = 300.0 µM

Host

Scx4
sCx4

c = 30.0 — 3000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.50⋅104 ± 650.0 M-1
Kd =
logKa = 4.18 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.84 ± 0.11 -5.7 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Buffer System 100 mM deuterated phosphate pD-7.3
Solvents Deuterium Oxide
Additives Disodium deuter...
Sodium dideuter...
Source of Concentration estimated
Total concentration 100.0 mM
pH 7.3
Please find here information about the dataset this interaction is part of.
Citation:

A. Specht, F. Ziarelli, P. Bernard, M. Goeldner, L. Peng, SupraBank 2024, para-Sulfonated Calixarenes Used as Synthetic Receptors for Complexing Photolabile Cholinergic Ligand (dataset). https://doi.org/10.34804/supra.20210928240

Link: https://doi.org/10.34804/supra.20210928240
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Specht, F. Ziarelli, P. Bernard, M. Goeldner, L. Peng, HCA 2005, 88, 2641–2653.

Link: https://doi.org/10.1002/hlca.200590205
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-nitrobenzylmethylethercholine (0.0013333333333333333 M) and sCx4 (0 — 0.0026666666666666666 M).