Title:Synthesis of 2, 2-disubstituted-2H -1-benzopyrans using tetraphenylethylene-based heterogeneous acidic organocatalyst and the evaluation of their binding interaction with human serum albumin
DOI:10.1002/jhet.4582
ligand name:3s
ligand smiles:CC1=CC(O)=CC2=C1C(=CC(O2)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;7.4;
T;298;
KSV;0.762*10^5;
kq;1.353*10^13;
n;0.859;
K;
Ka;
Kb;0.896*10^5;
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;
kq;
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;
T;
J;
E;
R0;
r;2.34;
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)





