Interaction

curated

Interaction Scheme

Molecule

Rpv
RPV

c = 2100.0 µM

Host

Scx4
sCx4

c = 2400.0 — 10330.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1700.0 M-1
Kd =
logKa = 3.23
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.44 -4.41
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus 1H
Δδbound = 1.0 ppm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Dimethyl sulfoxide-d6
Please find here information about the dataset this interaction is part of.
Citation:

S. Wu, G. Wang, L. Zou, Q. Wang, X. Ma, SupraBank 2024, Synthesis of ru(bpy)3-viologen and its complex included by p-sulfonatocalix[4]arene in a U-type binding manner (dataset). https://doi.org/10.34804/supra.2021092887

Link: https://doi.org/10.34804/supra.2021092887
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Wu, G. Wang, L. Zou, Q. Wang, X. Ma, Dyes and Pigments 2012, 95, 436–442.

Link: https://doi.org/10.1016/j.dyepig.2012.04.020
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of RPV (0.011764705882352941 M) and sCx4 (0 — 0.023529411764705882 M).