Ligand

H-Bonding

Hydrophobic interaction

MolDock Score

C4-BHL

Gly119

Ala111, Arg112, Arg138, Asp98, Cys117,

Leu107, Leu116, Phe101, Ser97, Trp96, Trp108, Val118

−70.064

Febuxostat

Gly119, Cys117

Ala83, Ala111, Arg112, Asp81, Asp98, Glu110, Leu107, Leu116, Phe101, Ser97, Trp68, Trp96, Trp108, Tyr64, Tyr72, Val118

−84.131