Interaction

curated

Interaction Scheme

Molecule

Estradiol
Estradiol

c = 13.0 µM

Host

Cb7
CB7

c = 16.5 µM

Indicator

Bc
Berberine chloride

c = 0.0 — 45.6 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.78⋅106 ± 4.55⋅105 M-1
Kd =
logKa = 6.25 ± 0.11
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.68 ± 0.65 -8.53 ± 0.16
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 421.0 nm
𝛌em = 542.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
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 Estradiol (1.1246826504053152e-05 M) and CB7 (0 — 2.2493653008106304e-05 M).