Binding information for 2vd4_ligand_2_0.mol2(FDBF07656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vd4_ligand_2_0.mol2 | 2vd4 | 0.788462 | -6.15 | Clc1ccc(cc1)C(=O)NC | 11 |
Structure and binding mode of 2vd4_ligand_2_0.mol2(FDBF07656)
Important binding residues for 2vd4_ligand_2_0.mol2(FDBF07656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vd4 | MET221 | -0.59 | -0.09 | -0.68 | 0.17 | -0.51 |
| 2vd4 | GLN231 | -2.61 | -3.12 | -5.73 | 3.10 | -2.63 |
| 2vd4 | ALA234 | -0.53 | -0.21 | -0.74 | 0.03 | -0.71 |
| 2vd4 | LEU235 | -0.33 | -0.11 | -0.44 | 0.10 | -0.34 |
