Interaction Scheme

Molecule

Untitled
Dopamine

c = 0.0 — 9290.0 µM

Host

5  4  2 %28dihydroxyboryl%29benzylaminomethyl benzoylamino  1 3 xylylenebis%28phosphonic acid lithium methyl%29 ester salt
5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzo...

c = 1040.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 176.0 ± 5.28 M-1
Kd =
logKa = 2.25 ± 0.01
T 20.0 °C 293 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.6 ± 0.07 -3.01 ± 0.02
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 Buffer System 100 mM deuterated phosphate pD-7.0
Solvents Deuterium Oxide 100.0 %
Additives Disodium hydrog... 57.8 mM
Sodium dihydrog... 42.2 mM
Source of Concentration
Total concentration 100.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

T. Schrader, M. Maue, SupraBank 2024, A Color Sensor for Catecholamines (dataset). https://doi.org/10.34804/supra.20210928137

Link: https://doi.org/10.34804/supra.20210928137
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Maue, T. Schrader, Angew. Chem. Int. Ed. 2005, 44, 2265–2270.

Link: https://doi.org/10.1002/anie.200462702
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Dopamine (0.11363636363636363 M) and 5-[4-[2-(dihydroxyboryl)benzylaminomethyl]benzoylamino]-1,3-xylylenebis(phosphonic acid lithium methyl) ester salt (0 — 0.22727272727272727 M).