Binding information for 4c7t_ligand_2_13.mol2(FDBF02608)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c7t_ligand_2_13.mol2 | 4c7t | 1 | -6.19 | Nc1cccc(OC)c1 | 9 |
Structure and binding mode of 4c7t_ligand_2_13.mol2(FDBF02608)
Important binding residues for 4c7t_ligand_2_13.mol2(FDBF02608)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c7t | ILE428 | -2.00 | -0.23 | -2.23 | 0.27 | -1.96 |
| 4c7t | LEU501 | -0.92 | 0.34 | -0.58 | 0.07 | -0.52 |
| 4c7t | CYS502 | -0.54 | -1.22 | -1.76 | 0.91 | -0.85 |
| 4c7t | THR503 | -0.69 | -0.16 | -0.85 | 0.48 | -0.37 |
| 4c7t | LEU504 | -0.36 | -0.06 | -0.42 | -0.04 | -0.47 |
| 4c7t | GLY505 | -1.03 | -0.95 | -1.98 | 0.60 | -1.38 |
| 4c7t | LEU553 | -0.58 | 0.13 | -0.45 | -0.08 | -0.53 |
