Interaction

curated

Interaction Scheme

Molecule

2 acetamidopropanoate
2-Acetamidopropanoate

c = 1000.0 µM

Host

Guandinium chloride
Guanidinium Chloride

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka < 10.0 ± 68.0 M-1
Kd <
logKa < 1.0 ± NaN
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG > -5.71 ± NaN -1.36 ± NaN
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents DMSO-d6 60.0 %
water 40.0 %
water
Please find here information about the dataset this interaction is part of.
Citation:

C. Schmuck, SupraBank 2024, Carboxylate Binding by 2-(Guanidiniocarbonyl)pyrrole Receptors in Aqueous Solvents: Improving the Binding Properties of Guanidinium Cations through Additional Hydrogen Bonds (dataset). https://doi.org/10.34804/supra.20210928209

Link: https://doi.org/10.34804/supra.20210928209
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Link: https://doi.org/10.1002/(SICI)1521-3765(20000218)6:4%3C709::AID-CHEM709%3E3.0.CO;2-6
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-Acetamidopropanoate (2.0 M) and Guanidinium Chloride (0 — 4.0 M).