Interaction Scheme

Molecule

Compound

L-Phe

c = 0.0 — 260.0 µM

Host

Cb7

CB7

c = 163.0 µM

Stoichiometry

1

:

1

Binding Properties

Ka = M-1
Kd =
logKa = 6.25 ± 0.02
T= 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.68 ± 0.1 -8.53 ± 0.02
ΔH = -43.4 ± 0.1 -10.37 ± 0.02

Determination Specification

Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Reference: W. S. Jeon, K. Moon, S. H. Park, H. Chun, Y. H. Ko, J. Y. Lee, E. S. Lee, S. Samal, N. Selvapalam, M. V. Rekharsky, et al., J. Am. Chem. Soc. 2005, 127, 12984–12989.
Link: https://doi.org/10.1021/ja052912c
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Solvation Properties

Solvent System Single Solvent
Solvent water
pH 7.0

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Phe (1.1235955056179776e-05 M) and CB7 (0 — 2.2471910112359552e-05 M).