Binding information for 4c7t_ligand_3_21.mol2(FDBF02609)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4c7t_ligand_3_21.mol2 | 4c7t | 1 | -6.09 | Nc1ccc(OC)c(OC)c1 | 11 |
Structure and binding mode of 4c7t_ligand_3_21.mol2(FDBF02609)
Important binding residues for 4c7t_ligand_3_21.mol2(FDBF02609)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4c7t | ILE428 | -2.30 | -0.42 | -2.72 | 1.09 | -1.63 |
| 4c7t | LEU501 | -0.93 | 0.39 | -0.54 | 0.05 | -0.49 |
| 4c7t | CYS502 | -0.56 | -1.22 | -1.78 | 0.89 | -0.88 |
| 4c7t | LEU504 | -0.39 | 0.05 | -0.34 | -0.16 | -0.50 |
| 4c7t | GLY505 | -1.14 | -1.16 | -2.3 | 0.88 | -1.42 |
| 4c7t | LEU553 | -0.59 | 0.13 | -0.46 | -0.06 | -0.53 |
