Binding information for 1q4x_ligand_1_0.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q4x_ligand_1_0.mol2 | 1q4x | 1 | -7.09 | c1ccccc1C | 7 |
Structure and binding mode of 1q4x_ligand_1_0.mol2(FDBF00023)
Important binding residues for 1q4x_ligand_1_0.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q4x | PHE269 | -1.43 | -0.55 | -1.98 | 0.63 | -1.35 |
| 1q4x | ILE276 | -0.86 | -0.11 | -0.97 | -0.01 | -0.98 |
| 1q4x | LEU346 | -0.70 | 0.00 | -0.7 | -0.08 | -0.78 |
| 1q4x | PHE455 | -1.02 | -0.13 | -1.15 | 0.47 | -0.68 |
