Interaction

curated

Interaction Scheme

Molecule

Estradiol
Estradiol

c = 0.0 — 500.0 µM

Host

Octa acid
Octa acid

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅108 ± M-1
Kd =
logKa = 8.0 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -45.66 ± 0.0 -10.91 ± 0.0
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 10 mM deuterated borate pD-8.9
Solvents Deuterium Oxide
Additives Borax 10.0 mM
sodium deuteroxide
Deuterium chloride
Source of Concentration
Total concentration 10.0 mM
pH 8.9
Please find here information about the dataset this interaction is part of.
Citation:

C. L. D. Gibb, B. C. Gibb, SupraBank 2024, Well-Defined, Organic Nanoenvironments in Water:  The Hydrophobic Effect Drives a Capsular Assembly (dataset). https://doi.org/10.34804/supra.20210928336

Link: https://doi.org/10.34804/supra.20210928336
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. L. D. Gibb, B. C. Gibb, J. Am. Chem. Soc. 2004, 126, 11408–11409.

Link: https://doi.org/10.1021/ja0475611
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Estradiol (2.0e-07 M) and Octa acid (0 — 4.0e-07 M).