Interaction

curated

Interaction Scheme

Molecule

Pancuronium
Pancuronium

Host

Cb8
CB8

c = 20.0 µM

Indicator

Bc
Berberine chloride

c = 45.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅108 ± 4.00⋅107 M-1
Kd =
logKa = 8.3 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -47.38 ± 0.5 -11.32 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 445.0 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:

W. M. Nau, F. Biedermann, K. I. Assaf, A. I. Lazar, A. Hennig, K. R. Mustafina, SupraBank 2024, Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications (dataset). https://doi.org/10.34804/supra.20210928373

Link: https://doi.org/10.34804/supra.20210928373
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. I. Lazar, F. Biedermann, K. R. Mustafina, K. I. Assaf, A. Hennig, W. M. Nau, J. Am. Chem. Soc. 2016, 138, 13022–13029.

Link: https://doi.org/10.1021/jacs.6b07655
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Pancuronium (1.0e-07 M) and CB8 (0 — 2.0e-07 M).