Title:Typical endocrine disruptors diethylstilbestrol and its analogues non-covalently bind to human serum albumin
DOI:10.1016/j.molstruc.2024.138409
ligand name:diethylstilbestrol 
ligand smiles:CC/C(C1=CC=C(O)C=C1)=C(/CC)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;4.90*E4;5.41*E4;6.10*E4;6.47*E4;
kq;
n;
K;
Ka;3.41*E4;3.84*E4;4.56*E4;5.30*E4;
Kb;
ΔH;18.76;18.76;18.76;18.76;
ΔS;150.9;150.9;150.9;150.9;
ΔG;-25.30;-26.21;-27.11;-28.02;
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;1.14*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)





