Interaction

curated

Interaction Scheme

Molecule

Untitled
1,6-Hexanediamine

Host

Tmr cb7
TMR-CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.17⋅107 ± 8.51⋅106 M-1
Kd =
logKa = 7.34 ± 0.18
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -41.88 ± 1.02 -10.01 ± 0.24
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 550.0 nm
𝛌em = 577.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7.0
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

L. Isaacs, A. T. Bockus, A. Urbach, O. A. Ali, L. Smith, A. G. Grice, C. C. Young, W. Mobley, A. Leek, J. L. Roberts, B. Vinciguerra, SupraBank 2025, Cucurbit[7]uril–Tetramethylrhodamine Conjugate for Direct Sensing and Cellular Imaging (dataset). https://doi.org/10.34804/supra.20210928229

Link: https://doi.org/10.34804/supra.20210928229
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. T. Bockus, L. C. Smith, A. G. Grice, O. A. Ali, C. C. Young, W. Mobley, A. Leek, J. L. Roberts, B. Vinciguerra, L. Isaacs, et al., J. Am. Chem. Soc. 2016, 138, 16549–16552.

Link: https://doi.org/10.1021/jacs.6b11140
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1,6-Hexanediamine (9.200000002024e-07 M) and TMR-CB7 (0 — 1.8400000004048e-06 M).