Binding information for 4hj2_ligand_4_2345.mol2(FDBF00649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2345.mol2 | 4hj2 | 0.805556 | -6.48 | C(CCl)N(C)c1ccccc1 | 11 |
Structure and binding mode of 4hj2_ligand_4_2345.mol2(FDBF00649)
Important binding residues for 4hj2_ligand_4_2345.mol2(FDBF00649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.71 | -0.08 | -0.79 | 0.45 | -0.33 |
| 4hj2 | GLY14 | -0.56 | -0.34 | -0.9 | -0.05 | -0.94 |
| 4hj2 | ARG15 | -0.75 | 0.60 | -0.15 | -0.40 | -0.54 |
| 4hj2 | LEU107 | -1.17 | -0.41 | -1.58 | 0.60 | -0.97 |
| 4hj2 | LEU108 | -0.56 | 0.06 | -0.5 | 0.05 | -0.45 |
| 4hj2 | VAL111 | -0.77 | 0.08 | -0.69 | -0.16 | -0.85 |
| 4hj2 | PHE220 | -1.27 | 0.97 | -0.3 | -0.19 | -0.49 |
