Binding information for 5ar8_ligand_2_27.mol2(FDBF03804)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ar8_ligand_2_27.mol2 | 5ar8 | 0.924242 | -8.22 | c1cccc(c1)NS(=O)(=O)c1c(F)cccc1F | 18 |
Structure and binding mode of 5ar8_ligand_2_27.mol2(FDBF03804)
Important binding residues for 5ar8_ligand_2_27.mol2(FDBF03804)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ar8 | VAL32 | -0.89 | 0.12 | -0.77 | -0.25 | -1.01 |
| 5ar8 | LEU70 | -1.75 | -0.65 | -2.4 | 0.81 | -1.59 |
| 5ar8 | LEU79 | -1.93 | -1.79 | -3.72 | 2.07 | -1.65 |
| 5ar8 | ILE93 | -0.74 | -0.09 | -0.83 | 0.11 | -0.72 |
| 5ar8 | THR95 | -1.46 | 0.18 | -1.28 | 0.25 | -1.02 |
| 5ar8 | LEU153 | -0.32 | 0.05 | -0.27 | -0.07 | -0.34 |
| 5ar8 | ASP164 | -1.30 | -0.46 | -1.76 | 1.24 | -0.52 |
| 5ar8 | PHE165 | -1.07 | 1.75 | 0.68 | -1.96 | -1.29 |
