Title:Human serum albumin binding of certain antimalarials
DOI:10.1016/j.saa.2017.10.061
ligand name:CQ-8
ligand smiles:C1=CC(=CC2=C1C(=CC=N2)N(C(C)CCCN(CCC34CC5CC(C3)CC(C4)C5)[H])[H])Cl
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;310;
KSV;0.52*10^5;0.58*10^5;0.40*10^5;
kq;0.74*10^13;0.82*10^13;0.56*10^13;
n;0.588;0.725;0.608;
K;
Ka;8.19*10^5;4.45*10^5;7.28*10^5;
Kb;2.29*10^2;15.49*10^2;1.70*10^2;
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)





