Title:Deciphering the Fluorescence Resonance Energy Transfer Signature of 3-Pyrazolyl 2-Pyrazoline in Transport Proteinous Environment
DOI:10.1021/jp811479r
ligand name:3-Pyrazolyl 2-Pyrazoline
ligand smiles:[H][C@]12CCC([H])(C1)[C@@]1([H])C2N(N=C1C1=C(C#N)C(C)=NN1C1=CC=CC=C1)C1=CC=C(Br)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;3.62*10^4;
kq;
n;0.9;
K;
Ka;4.37*10^4;
Kb;3.65*10^4;
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;1.56*10^-12;
E;0.25;
R0;5.72;
r;7.13;
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)





