Interaction

curated

Interaction Scheme

Molecule

1 adamantanamine
Amantadine

c = 0.0 — 2.96 µM

Host

Cb7 heg bc
CB7-HEG-BC

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 1.00⋅108 ± M-1
Kd >
logKa > 8.0 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG < -45.66 ± NaN -10.91 ± NaN
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 350.0 nm
𝛌em = 540.0 nm
Detailed information about the solvation.
Solvent System Buffer System 1X PBS pH-7.45
Solvents water 100.0 %
Additives sodium chloride 137.0 mM
Disodium diphos... 10.0 mM
potassium chloride 2.7 mM
Potassium dihyd... 1.8 mM
Source of Concentration real
Total concentration 151.5 mM
pH 7.45
Please find here information about the dataset this interaction is part of.
Citation:

L. M. Grimm, F. Biedermann, C. Hu, A. Prabodh, A. Baksi, A. Siennicka, P. Levkin, M. Kappes, SupraBank 2024, Covalent cucurbit[7]uril–dye conjugates for sensing in aqueous saline media and biofluids (dataset). https://doi.org/10.34804/supra.20210928300

Link: https://doi.org/10.34804/supra.20210928300
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. Hu, L. Grimm, A. Prabodh, A. Baksi, A. Siennicka, P. A. Levkin, M. M. Kappes, F. Biedermann, Chem. Sci. 2020, 11, 11142–11153.

Link: https://doi.org/10.1039/D0SC03079A
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Amantadine (2.0e-07 M) and CB7-HEG-BC (0 — 4.0e-07 M).