Interaction

curated

Interaction Scheme

Molecule

Untitled
L-Trp-OMe

Host

Cb8
CB8

c = 20.0 µM

Cofactor

Mdpp squared
MDPP

c = 20.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅106 ± 1.30⋅105 M-1
Kd =
logKa = 6.11 ± 0.04
T 22.0 °C ≈ 295 K
Energy kJ mol-1 kcal mol-1
ΔG = -34.9 ± 0.25 -8.34 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
𝛌abs = 443.0 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, SupraBank 2024, Noncovalent Chirality Sensing Ensembles for the Detection and Reaction Monitoring of Amino Acids, Peptides, Proteins, and Aromatic Drugs (dataset). https://doi.org/10.34804/supra.20210928387

Link: https://doi.org/10.34804/supra.20210928387
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, W. M. Nau, Angew. Chem. Int. Ed. 2014, 53, 5694–5699.

Link: https://doi.org/10.1002/anie.201400718
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Trp-OMe (1.5384615384615384e-05 M) and CB8 (0 — 3.076923076923077e-05 M).