Binding information for 2pl0_ligand_4_30.mol2(FDBF01424)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pl0_ligand_4_30.mol2 | 2pl0 | 1 | -8.97 | Cc1ccc(C(=O)Nc2ccc(c(N)c2)C)cc1 | 18 |
Structure and binding mode of 2pl0_ligand_4_30.mol2(FDBF01424)
Important binding residues for 2pl0_ligand_4_30.mol2(FDBF01424)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pl0 | ALA271 | -0.71 | 0.29 | -0.42 | 0.06 | -0.36 |
| 2pl0 | VAL272 | -0.55 | 0.02 | -0.53 | 0.05 | -0.49 |
| 2pl0 | LYS273 | -1.17 | 0.03 | -1.14 | -0.14 | -1.28 |
| 2pl0 | LEU291 | -0.50 | 1.33 | 0.83 | -1.17 | -0.34 |
| 2pl0 | MET292 | -1.93 | -1.00 | -2.93 | 1.07 | -1.86 |
| 2pl0 | VAL301 | -0.81 | -0.31 | -1.12 | 0.25 | -0.87 |
| 2pl0 | ILE314 | -0.97 | -0.30 | -1.27 | 0.13 | -1.14 |
| 2pl0 | ILE315 | -0.45 | 0.00 | -0.45 | -0.17 | -0.62 |
| 2pl0 | THR316 | -0.78 | -3.74 | -4.52 | 4.14 | -0.38 |
| 2pl0 | ILE380 | -0.43 | -0.03 | -0.46 | -0.15 | -0.60 |
| 2pl0 | ALA381 | -1.00 | -1.76 | -2.76 | 0.73 | -2.03 |
| 2pl0 | ASP382 | -2.20 | -0.87 | -3.07 | 0.84 | -2.24 |
| 2pl0 | PHE383 | -0.99 | 0.27 | -0.72 | 0.35 | -0.37 |
