Title:Interactions of diclazuril enantiomers with serum albumins: Multi-spectroscopic and molecular docking approaches
DOI:10.1002/jmr.2948
ligand name:s-diclazuril
ligand smiles:C1=CC(=CC=C1[C@H](C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl  
key residue(hbond):HIS146;ARG186;LYS190 d
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;306;313;
KSV;2.37*10^5;1.99*10^5;1.75*10^5;
kq;2.37*10^13;1.99*10^13;1.75*10^13;
n;1.14;1.17;1.09;
K;
Ka;33.58*10^5;9.73*10^5;5.29*10^5;
Kb;
ΔH;-96.26;-96.26;-96.26;
ΔS;-200;-200;-200;
ΔG;-36.66;-35.06;-33.66;
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;0.75*10^4;
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;
E;
R0;
r;
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)





