Title:Insights into the interaction mechanism between tiagabine hydrochloride and two serum albumins
DOI:10.1039/c8ra04153a
ligand name:tiagabine hydrochloride
ligand smiles:CC1=C(SC=C1)C(=CCCN2CCC[C@H](C2)C(=O)O)C3=C(C=CS3)C.Cl
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site II

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;2.18*10^4;
kq;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#ITC#
parameter;
pH;
T;298;
n;
K;
Ka;
Kb;6.35*10^4;
ΔH;1.3849;
ΔS;96.6504;
ΔG;-27.6144;
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;
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)





