Title:Comprehensive insight into the binding of sunitinib, a multi-targeted anticancer drug to human serum albumin
DOI:10.1016/j.saa.2017.03.059
ligand name:sunitinib
ligand smiles:CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C  
key residue(hbond):Ser192;Lys199(site I);Lys413(site II) d
key residue(hydrophobic):
PDB ID:
Binding Area: site I (subdomain IIA) 

#Binding and thermodynamic parameters#
parameter;
pH;
T;288;298;308;
KSV;3.35*10^4;2.94*10^4;2.37*10^4;
kq;
n;
K;
Ka;
Kb;
ΔH;-15.44;-15.44;-15.44;
ΔS;33.63;33.63;33.63;
ΔG;-25.13;-25.46;-25.80;
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)





