Binding information for 1svg_ligand_1_6.mol2(FDBF01186)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1svg_ligand_1_6.mol2 | 1svg | 0.755556 | -6.73 | c1(ccncc1)C(=O)N | 9 |
Structure and binding mode of 1svg_ligand_1_6.mol2(FDBF01186)
Important binding residues for 1svg_ligand_1_6.mol2(FDBF01186)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1svg | LEU49 | -0.71 | -0.38 | -1.09 | 0.62 | -0.47 |
| 1svg | VAL57 | -1.09 | -0.30 | -1.39 | 0.18 | -1.22 |
| 1svg | ALA70 | -0.77 | 0.02 | -0.75 | -0.08 | -0.83 |
| 1svg | LYS72 | -0.15 | -2.75 | -2.9 | 2.53 | -0.36 |
| 1svg | MET120 | -0.82 | 0.10 | -0.72 | -0.06 | -0.77 |
| 1svg | TYR122 | -1.02 | -1.08 | -2.1 | 0.16 | -1.94 |
| 1svg | VAL123 | -1.16 | -1.79 | -2.95 | 0.82 | -2.13 |
| 1svg | LEU173 | -0.99 | 0.03 | -0.96 | -0.12 | -1.08 |
| 1svg | THR183 | -0.43 | -3.70 | -4.13 | 3.45 | -0.68 |
| 1svg | PHE327 | -0.56 | -1.18 | -1.74 | 1.29 | -0.45 |
