Table 2.
PubChem CID | Compound Name | Structure | Function | Binding Free Energy (kcal/mol) | Ligand Efficiency | References |
---|---|---|---|---|---|---|
135565082 | Talazoparib | Antineoplastic | −8.9 | −0.218 | Hoy (2018) | |
9869053 | CX-659S | Anti-oxidative and Anti-inflammatory | −8.7 | −0.256 | Goto et al. (2002) | |
9890128 | Naphthalenenitrile 9ac (L−708,780) | Lipoxygenase (LOX) Inhibitor | −8.4 | −0.247 | Delorme et al. (1996) | |
9954003 | Lensiprazine | Antipsychotic | −7.8 | −0.252 | Smid et al. (2005) | |
2403 | Bisindolylmaleimide VIII | Protein kinase inhibitor, Anti-inflammatory and Anti-asthmatic | −7.8 | −0.260 | Muid et al. (1991) | |
2404 | Bisindolylmaleimide X | Protein kinase inhibitor, Anti-inflammatory, and Anti-asthmatic | −7.7 | −0.241 | Muid et al. (1991) | |
7073228 | Silymarin | Hepatoprotective agent | −7.6 | −0.217 | Xie et al. (2019) and Soleimani et al. (2019) |