Title:Elucidation of the binding mechanism of coumarin derivatives with human serum albumin
DOI:10.1371/journal.pone.0063805
ligand name:CDM enamide
ligand smiles:CNC(=O)C(=C\C1=C(O)C=CC2=C1OC(=O)C=C2C)\C#N
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IB-IIA d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;
kq;
n;0.86;
K;
Ka;
Kb;0.606*10^5;
ΔH;
ΔS;
ΔG;-27.1542;
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)





