Title:Multispectroscopic and computational studies of interaction of bovine serum albumin, human serum albumin and bovine hemoglobin with bisacodyl
DOI:10.1016/j.molstruc.2021.131550
ligand name:Bisacodyl
ligand smiles:CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3  
key residue(hbond):Ser480 d
key residue(hydrophobic):
PDB ID:
Binding Area:Sudlow site I d

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;5.3*10^3;
kq;5.3*10^11;
n;1.0;
K;
Ka;
Kb;1.17*10^2;
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;




#FRET from Steady State Measurements#
parameter;
pH;
T;
J;4.4*10^-14;
E;0.27;
R0;3.1;
r;3.7;
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)





