Table 2.

Summary of ligand-protein interaction sites in the pocket.

Drug Name	Hydrogen Bonds	Hydrophobic Interactions	Carbon-hydrogen interactions	Other interactions
Dactinomycin	TYR1209,ASN953	PRO123, LYS278, LEU48, TRP1217, ILE1210	SER46, ASN280	ILE1210 (π-sigma)
Glycyrrhizic Acid	LEU303, ASN824, THR827, GLN949, LEU1205, TYR1209, TRP1217	ALA956, LYS1205	VAL826	TRP-1217 (π-donor)
Eltrombopag	VAL826, ALA829, LYS1205, TYR1209	LEU849, LEU1203, ILE1210, PRO1213
Azilsartan medoxomil	THR827, GLN949, TRP1217	LEU945, ILE1210, PRO1213	ASN824, TRY1209
Bictegravir	ASN824, LYS825, LYS1205, TYR1209,TRP1217	LEU849, LEU945, LEU1203, TRP1212, PRO1213	THR827	ASN1199 (π-anion)
Temsirolimus	PHE823, ASN824, LYS825, THR827, ASN 953, TYR 1209, TRP1217	ALA956, ILE1210, PRO1213, TRP1217, TYR 1209	VAL826, THR307
Dolutegravir	ASN824, LYS825, LYS1205, TYR1209, TRP1217	LEU849, LEU945, LEU1203, PRO1213	THR827	ASN1199 (π-anion)
Elbasvir	ASN824, GLN949, ASN953, GLN957	LEU303, TYR313, LEU828, LEU849, TRP1212, PRO1213, TRP1217	THR827	TYR1209 (π-donor) LYS825 (amide-π)
Irbesartan	THR827, LYS1205, TYR1209, TRP1217	LYS1205, ILE1210, PRO1213
Gliquidone	LYS1205, TYR1209, TRP1217	LEU849, LEU945, TRP1212, PRO1213	LEU828, TYR1209	TYR1209 (π‑sulfur)
Lanreotide	ASN960, LYS964, ASP1199, LYS1205, TYR1209	LEU303, LYS304, LEU828, LEU1203	LYS1205	ALA952, ALA956 (π-sigma) GLU309 (π-anion) PHE833 (π-π)
Tasosartan	GLU1195, TYR1209	LYS825, TYR1209, PRO1213, TRP1217		ASP1199 (π-anion) LYS1205 (π-cation)
Velpatasvir	ASN824, VAL826, GLN949, ASN960, LYS1205, TYR1209	LEU48, LYS304, LEU945, ILE1210	LEU303	LYS964 (π-cation)

The amino acids interacting with each drug and the interaction types are summarized.