Interaction

curated

Interaction Scheme

Molecule

A
2-(1H-benzimidazol-2-yl)phenol

c = 10.0 µM

Host

Cb7
CB7

c = 0.0 — 60.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 1000.0 M-1
Kd <
logKa < 3.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -17.12 -4.09
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 298.0 nm
𝛌em = 418.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives Sodium hydroxide
pH 11.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, H. Pal, A. Bhasikuttan, W. Nau, M. Shaikh, S. Dutta Choudhury, SupraBank 2024, Modulation of Excited-State Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole in a Macrocyclic Cucurbit[7]uril Host Cavity: Dual Emission Behavior and pKaShift (dataset). https://doi.org/10.34804/supra.20210928250

Link: https://doi.org/10.34804/supra.20210928250
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Shaikh, S. Dutta Choudhury, J. Mohanty, A. C. Bhasikuttan, W. M. Nau, H. Pal, Chemistry - A European Journal 2009, 15, 12362–12370.

Link: https://doi.org/10.1002/chem.200900390
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-(1H-benzimidazol-2-yl)phenol (0.02 M) and CB7 (0 — 0.04 M).