Binding information for 2vd4_ligand_4_6.mol2(FDBF07656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vd4_ligand_4_6.mol2 | 2vd4 | 0.775862 | -6.09 | CCCNC(=O)c1ccc(Cl)cc1 | 13 |
Structure and binding mode of 2vd4_ligand_4_6.mol2(FDBF07656)
Important binding residues for 2vd4_ligand_4_6.mol2(FDBF07656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vd4 | MET221 | -0.59 | -0.08 | -0.67 | 0.17 | -0.51 |
| 2vd4 | GLN231 | -2.73 | -3.17 | -5.9 | 3.21 | -2.69 |
| 2vd4 | ALA234 | -0.53 | -0.22 | -0.75 | 0.04 | -0.71 |
| 2vd4 | LEU235 | -0.33 | -0.11 | -0.44 | 0.10 | -0.34 |
