Title:Typical endocrine disruptors diethylstilbestrol and its analogues non-covalently bind to human serum albumin
DOI:10.1016/j.molstruc.2024.138409
ligand name:dienestrol
ligand smiles:C/C=C(C1=CC=C(O)C=C1)/C(=C/C)C1=CC=C(O)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area: site I 


#Binding and thermodynamic parameters#
parameter;
pH;
T;292;298;304;310;
KSV;5.69*E4;5.82*E4;6.88*E4;7.39*E4;
kq;
n;
K;
Ka;3.91*E4;4.46*E4;4.94*E4;6.19*E4;
Kb;
ΔH;18.58;18.58;18.58;18.58;
ΔS;151.4;151.4;151.4;151.4;
ΔG;-25.71;-26.62;-27.52;-28.43;
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;electrochemical methods
parameter;
pH;
T;
n;
K;
Ka;
Kb;2.38*E5;
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)





