Binding information for 4hj2_ligand_3_660.mol2(FDBF00649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_3_660.mol2 | 4hj2 | 0.805556 | -6.41 | C(CCl)Nc1ccccc1 | 10 |
Structure and binding mode of 4hj2_ligand_3_660.mol2(FDBF00649)
Important binding residues for 4hj2_ligand_3_660.mol2(FDBF00649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | GLY14 | -0.53 | -0.40 | -0.93 | 0.13 | -0.80 |
| 4hj2 | LEU107 | -1.14 | -0.44 | -1.58 | 0.66 | -0.93 |
| 4hj2 | LEU108 | -0.56 | 0.05 | -0.51 | 0.05 | -0.46 |
| 4hj2 | VAL111 | -0.75 | 0.08 | -0.67 | -0.14 | -0.82 |
| 4hj2 | PHE220 | -0.97 | 1.03 | 0.06 | -0.47 | -0.40 |
