Binding information for 2pl0_ligand_2_6.mol2(FDBF01419)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pl0_ligand_2_6.mol2 | 2pl0 | 1 | -7.69 | N(c1c(cccc1)C)c1ncccn1 | 14 |
Structure and binding mode of 2pl0_ligand_2_6.mol2(FDBF01419)
Important binding residues for 2pl0_ligand_2_6.mol2(FDBF01419)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pl0 | VAL259 | -0.75 | 0.02 | -0.73 | -0.09 | -0.81 |
| 2pl0 | ALA271 | -1.37 | -0.25 | -1.62 | 0.36 | -1.26 |
| 2pl0 | VAL272 | -0.65 | 0.15 | -0.5 | 0.04 | -0.46 |
| 2pl0 | LYS273 | -1.27 | -1.10 | -2.37 | 1.33 | -1.05 |
| 2pl0 | MET292 | -0.83 | -0.12 | -0.95 | 0.30 | -0.65 |
| 2pl0 | VAL301 | -0.63 | -0.12 | -0.75 | 0.05 | -0.70 |
| 2pl0 | ILE314 | -0.90 | -0.41 | -1.31 | 0.13 | -1.18 |
| 2pl0 | ILE315 | -0.46 | 0.14 | -0.32 | -0.24 | -0.57 |
| 2pl0 | THR316 | -1.09 | -3.10 | -4.19 | 0.67 | -3.52 |
| 2pl0 | LEU371 | -0.58 | -0.05 | -0.63 | -0.05 | -0.68 |
| 2pl0 | PHE383 | -2.00 | -0.81 | -2.81 | 0.91 | -1.90 |
