Title:Human serum albumin binding of certain antimalarials
DOI:10.1016/j.saa.2017.10.061
ligand name:CQ-7
ligand smiles:C1=CC(=CC2=C1C(=CC=N2)N(CCN(CC3CCC5(CC3)OOC4(CCCCC4)OO5)[H])[H])Cl
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;310;
KSV;0.73*10^5;0.94*10^5;0.77*10^5;
kq;1.03*10^13;1.33*10^13;1.09*10^13;
n;0.644;0.800;0.781;
K;
Ka;7.83*10^5;3.79*10^5;4.47*10^5;
Kb;0.66*10^3;6.76*10^3;4.37*10^3;
ΔH;
ΔS;
ΔG;
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;
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)





