Interaction Scheme

Molecule

Untitled
phenylbutazone

c = 21.0 µM

Host

Protein
HSA

c = 10.0 µM

Indicator

Untitled
warfarin

c = 0.0 — 32.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.76⋅105 ± 6.24⋅104 M-1
Kd =
logKa = 5.83 ± 0.04
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -33.28 ± 0.23 -7.95 ± 0.05
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 335.0 nm
𝛌em = 410.0 nm
Detailed information about the solvation.
Solvent System Buffer System 1X PBS pH-7.4
Solvents water
Additives sodium chloride 137.0 mM
Disodium hydrog... 10.0 mM
potassium chloride 2.7 mM
Potassium dihyd... 1.8 mM
Source of Concentration real
Total concentration 151.5 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

F. Biedermann, S. Sinn, J. Krämer, SupraBank 2024, Teaching old indicators even more tricks: binding affinity measurements with the guest-displacement assay (GDA) (dataset). https://doi.org/10.34804/supra.20210928361

Link: https://doi.org/10.34804/supra.20210928361
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Sinn, J. Krämer, F. Biedermann, Chem. Commun. 2020, 56, 6620–6623.

Link: https://doi.org/10.1039/D0CC01841D
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of phenylbutazone (2.9581422866439876e-05 M) and HSA (0 — 5.916284573287975e-05 M).