Title:Effects of Substituents on the Photophysical/Photobiological Properties of Mono-Substituted Corroles
DOI:10.3390/molecules28031385
ligand name:3
ligand smiles:FC1=C(F)C(F)=C(/C2=C3\C=C/C(=C4\C=C/C(=C(\C5=C(F)C(F)=C(F)C(F)=C5F)C5=N/C(=C(/C6=CC=CC=C6)C6=CC=C2N6)C=C5)N4)N3)C(F)=C1F
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;298.15;
KSV;7.60*E4;
kq;13.4*E12;
n;1.95;
K;
Ka;8.75*E4;
Kb;8.63*E4;
ΔH;
ΔS;
ΔG;-28.242;
Kd;


#ITC#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Cp;
Kd;


#UV-vis absorption spectroscopy#
parameter;
pH;
T;298.15;
n;
K;
Ka;
Kb;3.30*E3;
ΔH;
ΔS;
ΔG;-20.0832;
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)





