Top compounds in
Compound | Free energy of binding (kcal/mol) |
Residues involved in hydrogen bond interactions |
Residues involved in hydrophobic interactions |
---|---|---|---|
Campesterol | –11.73 | Arg557 | Ser512, Leu515, Thr550, Ala546, Leu553, Met547, Phe587, Phe591, and Leu669 |
Stigmasterol | –11.02 | Arg557 and Gln700 | Thr550, Leu515, Leu553, Ala566, and Glu570 |
Ononin | –8.91 | Tyr511 and Arg557 | Leu515, Leu553, Ala566, and Ile573 |
Capsazepine | (Ki = 120 nM) | Glu570 | Leu515, Met547, and Leu553 |