Binding information for 4hj2_ligand_2_121.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_2_121.mol2 | 4hj2 | 1 | -6.34 | CNc1ccccc1 | 8 |
Structure and binding mode of 4hj2_ligand_2_121.mol2(FDBF00049)
Important binding residues for 4hj2_ligand_2_121.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | GLY14 | -0.52 | -0.45 | -0.97 | 0.19 | -0.78 |
| 4hj2 | LEU107 | -1.13 | -0.36 | -1.49 | 0.57 | -0.92 |
| 4hj2 | LEU108 | -0.51 | 0.05 | -0.46 | 0.05 | -0.41 |
| 4hj2 | VAL111 | -0.66 | -0.01 | -0.67 | -0.05 | -0.72 |
