Interaction

curated

Interaction Scheme

Molecule

Untitled
2,3-Diazabicyclo(2.2.2)oct-2-ene

c = 500.0 µM

Host

Scx4
sCx4

c = 0.0 — 8000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4700.0 ± 400.0 M-1
Kd =
logKa = 3.67 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.96 ± 0.21 -5.01 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 365.0 nm
Ibound⁄Ifree = 10.0
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 2.0
Please find here information about the dataset this interaction is part of.
Citation:

H. Bakirci, W. M. Nau, SupraBank 2024, Fluorescence Regeneration as a Signaling Principle for Choline and Carnitine Binding: A Refined Supramolecular Sensor System Based on a Fluorescent Azoalkane (dataset). https://doi.org/10.34804/supra.20210928371

Link: https://doi.org/10.34804/supra.20210928371
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Bakirci, W. M. Nau, Adv. Funct. Mater. 2006, 16, 237–242.

Link: https://doi.org/10.1002/adfm.200500219
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-Diazabicyclo(2.2.2)oct-2-ene (0.00425531914893617 M) and sCx4 (0 — 0.00851063829787234 M).