Binding energy (KJ/mol)

Polar contact

Interacting Residue

Ligand L

−6.2

DC5, DG18

DC5, DT17, DG18, DT19

Compound 1

−6.8

DG2, DA4

DG2, DG3, DA4, DC5, DC20, DC21

Compound 2

−6.8

DG2, DA4

DG2, DG3, DA4, DC5, DC20, DC21

Compound 3

−7.5

DG2, DA4

DG2, DG3, DA4, DC5, DC20, DC21, DG22

Compound 4

−6.6

-

DC5, DA6, DT17, DG18, DT19