Table 3 The top 10 ligands against Kir5.1
Rank | Ligand | score(kcal/mol) | Hydrogen bond |
|---|---|---|---|
1 | Z2087256678_2 | -7.3 | ASP113, ASP101, ASP105 |
2 | Z2211139111_1 | -7.3 | ASP101, GLU141, GLU142 |
3 | Z2211139111_2 | -7.3 | ASP101, ASP105 |
4 | PV-000592319198_1 | -7.3 | ASP105 |
5 | Z2211137992_1 | -7.2 | ASP101, ASP105 |
6 | Z2211137992_2 | -7.2 | ASP101, ASP105, ASP113, HIS116 |
7 | Z2717222271_1 | -7.1 | THR109, GLU142, VAL145 |
8 | Z2211137992_4 | -7.0 | ASP105, ILE108, ASP113, ASN114, GLU141, GLU142 |
9 | Z1411107749_2 | -7.0 | ASP105, PRO106, ASP113, ASN114 |
10 | PV-000377841410_1 | -6.9 | ASP101, ASP105, ILE108, ASP113 |