Title:Interactions between tetrahydroisoindoline-1,3-dione derivatives and human serum albumin via multiple spectroscopy techniques
DOI:10.1007/s11356-018-1955-9
ligand name:tetrahydroisoindoline-1,3-dione derivative III-1k
ligand smiles:C1C2=C(CCC1)C(=O)N(C2=O)C3=CC=C4C(=C3F)OC(=O)N4C(C(=O)OCC)CC
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;307;316;
KSV;4.71*10^4;3.90*10^4;3.56*10^4;
kq;10.09*10^12;8.35*10^12;7.62*10^12;
n;0.9153;0.9348;0.9801;
K;
Ka;4.26*10^4;3.53*10^4;3.46*10^4;
Kb;
ΔH;-9.15;-9.15;-9.15;
ΔS;57.87;57.87;57.87;
ΔG;-26.39;-26.91;-27.44;
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)





