Interaction

curated

Interaction Scheme

Molecule

Adrenaline hydrochloride
Adrenaline hydrochloride

Host

Untitled
1,3,5-tris[[(4s)-4-[3-[4-(sodiosulfo)butoxy]phe...

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 10.0 M-1
Kd <
logKa < 1.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -5.71 -1.36
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
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
Please find here information about the dataset this interaction is part of.
Citation:

J. Kim, B. Raman, K. H. Ahn, SupraBank 2024, Artificial Receptors That Provides a Preorganized Hydrophobic Environment:  A Biomimetic Approach to Dopamine Recognition in Water (dataset). https://doi.org/10.34804/supra.20210928159

Link: https://doi.org/10.34804/supra.20210928159
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. Kim, B. Raman, K. H. Ahn, J. Org. Chem. 2005, 71, 38–45.

Link: https://doi.org/10.1021/jo051630s
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Adrenaline hydrochloride (2.0 M) and 1,3,5-tris[[(4s)-4-[3-[4-(sodiosulfo)butoxy]phenyl]-2-oxazoline-2-yl]methyl]-2,4,6-trimethylbenzene (0 — 4.0 M).