Title:Effects of Human Serum Albumin on the Fluorescence Intensity and Tumor Imaging Properties of IR-780 Dye
DOI:10.1111/php.13547
ligand name:IR-780
ligand smiles:CCCN1C2=CC=CC=C2C(C1=C/C=C/3\CCCC(=C3Cl)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;293;298;303;310;
KSV;1.14*10^6;1.11*10^6;1.17*10^6;1.08*10^6;
kq;1.97*10^14;1.92*10^14;2.02*10^14;1.87*10^14;
n;1.13;1.17;1.16;1.03;
K;
Ka;
Kb;7.08*10^6;9.55*10^6;9.33*10^6;1.66*10^6;
ΔH;
ΔS;
ΔG;
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;
1:0;;0.041166667;310;29.4;0.09483871;
1:5;;0.038;690;27.6;0.04;
1:10;;0.041166667;1130;29.4;0.026017699;



#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)





