Interaction

curated

Interaction Scheme

Molecule

2ant5kpegome
2Ant-5kPEGOMe

c = 1.0 µM

Host

Cb8
CB8

c = 5.0 — 50.0 µM

Cofactor

Methyl viologen
Methyl viologen

c = 5.0 — 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka > 2.80⋅106 ± M-1
Kd >
logKa > 6.45 ± NaN
T 5.0 °C ≈ 278 K
kin= 28000000.0 ± 20000000.0 M-1s-1
kout= 10.0 ± 40.0 s-1
Energy kJ mol-1 kcal mol-1
ΔG < -34.33 ± NaN -8.21 ± NaN
Comment
from stopped flow. k(out) only upper bound value
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

O. Scherman, F. Biedermann, J. del Barrio, E. Appel, D. Hoogland, M. D. Driscoll, S. Hay, D. J. Wales, SupraBank 2025, Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host–Guest Complexes (dataset). https://doi.org/10.34804/supra.20220701456

Link: https://doi.org/10.34804/supra.20220701456
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

E. A. Appel, F. Biedermann, D. Hoogland, J. del Barrio, M. D. Driscoll, S. Hay, D. J. Wales, O. A. Scherman, J. Am. Chem. Soc. 2017, 139, 12985–12993.

Link: https://doi.org/10.1021/jacs.7b04821
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2Ant-5kPEGOMe (7.142857142857143e-06 M) and CB8 (0 — 1.4285714285714285e-05 M).