Binding information for 4c7t_ligand_4_0.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c7t_ligand_4_0.mol2 | 4c7t | 1 | -6.01 | Nc1cc(OC)c(OC)c(OC)c1 | 13 |
Structure and binding mode of 4c7t_ligand_4_0.mol2(FDBF02614)
Important binding residues for 4c7t_ligand_4_0.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c7t | ILE428 | -2.74 | 0.27 | -2.47 | 0.88 | -1.60 |
| 4c7t | LEU501 | -0.95 | 0.41 | -0.54 | 0.06 | -0.48 |
| 4c7t | CYS502 | -0.57 | -1.32 | -1.89 | 0.91 | -0.97 |
| 4c7t | LEU504 | -0.40 | 0.12 | -0.28 | -0.20 | -0.49 |
| 4c7t | GLY505 | -1.29 | -1.39 | -2.68 | 1.16 | -1.52 |
| 4c7t | LEU553 | -0.79 | 0.15 | -0.64 | -0.08 | -0.72 |
