Title:Shedding light on the bimolecular interactions of Cafaminol and human serum albumin: spectroscopic characterization and in-silico investigation
DOI:10.1080/07391102.2020.1863262
ligand name:Cafaminol
ligand smiles:CN1C2=C(N=C1N(C)CCO)N(C(=O)N(C2=O)C)C 
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area: site I

#Binding and thermodynamic parameters#
parameter;
pH;
T;289;296;303;310;
KSV;10.46*10^3;8.92*10^3;7.70*10^3;6.70*10^3;
kq;
n;1.10;0.98;0.89;0.85;
K;
Ka;
Kb;28.44*10^3;7.71*10^3;2.59*10^3;1.47*10^3;
ΔH;-105.88;-105.88;-105.88;
ΔS;-282.34;-282.34;-282.34;
ΔG;-24.64;-22.03;-19.76;-18.762;
Kd


#ITC#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Cp;
Kd;


#UV-vis absorption spectroscopy#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#other_method#
method;
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#Kinetic Parameters Describing Michaelis–Menten Constant#
HSA/Ligand;RA (%);Vmax;Km;kcat;kcat/Km;




#FRET from Steady State Measurements#
parameter;
pH;
T;
J;2.60*10^-14;
E;
R0;2.63;
r;3.28;
EFRET;
F0;
F;


#Changes in the ASA(Å2) Values of the Interacting Residues of HSA and ligand Complex
residues;ASA(Å2) of HSA;ASA(Å2)of com;ΔASA(Å2)





