Title:Effects of Substituents on the Photophysical/Photobiological Properties of Mono-Substituted Corroles
DOI:10.3390/molecules28031385
ligand name:4
ligand smiles:CSC1=CC=C(/C2=C3\C=CC(=N3)/C(C3=C(F)C(F)=C(F)C(F)=C3F)=C3/C=C/C(=C4\C=C/C(=C(\C5=C(F)C(F)=C(F)C(F)=C5F)C5=CC=C2N5)N4)N3)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:


#Binding and thermodynamic parameters#
parameter;
pH;
T;298.15;
KSV;2.10*E4;
kq;3.70*E12;
n;1.45;
K;
Ka;9.13*E4;
Kb;6.29*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;16.4*E3;
ΔH;
ΔS;
ΔG;-24.058;
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)





