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-1h
ligand smiles:C1C2=C(CCC1)C(=O)N(C2=O)C3=CC=C4C(=C3F)OC(=O)N4C(C(=O)OCC)C
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site II (subdomain IIIA)

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;307;316;
KSV;5.57*10^4;4.84*10^4;4.26*10^4;
kq;11.93*10^12;10.36*10^12;9.12*10^12;
n;0.8157;0.8809;0.8964;
K;
Ka;3.28*10^4;2.75*10^4;2.68*10^4;
Kb;
ΔH;-4.49;-4.49;-4.49;
ΔS;61.80;61.80;61.80;
ΔG;-23.01;-23.56;-24.12;
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)





