Interaction Scheme

Molecule

1 2 dihydroxybenzene
Pyrocatechol

Host

%282 %28%28%28anthracen 9 ylmethyl%29%28methyl%29amino%29methyl%29phenyl%29boronic acid
(2-(((anthracen-9-ylmethyl)(methyl)amino)methyl...

c = 3.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2030.0 M-1
Kd =
logKa = 3.31
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.88 -4.51
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 367.0 nm
Detailed information about the solvation.
Solvent System Buffer System 50 mM HEPES 50 % MeOH pH-7.4
Solvents water 50.0 %
methanol 50.0 %
Additives Hepes 50.0 mM
Source of Concentration
Total concentration 50.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

L. Grimm, SupraBank 2024, Fluorescence Sensing of Dopamine (dataset). https://doi.org/10.34804/supra.20210928234

Link: https://doi.org/10.34804/supra.20210928234
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Bulletin of the Korean Chemical Society 2005, 26, 2041–2043.

Link: https://doi.org/10.5012/BKCS.2005.26.12.2041

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Pyrocatechol (0.009852216748768473 M) and (2-(((anthracen-9-ylmethyl)(methyl)amino)methyl)phenyl)boronic acid (0 — 0.019704433497536946 M).