Binding information for 4hj2_ligand_4_2365.mol2(FDBF00643)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2365.mol2 | 4hj2 | 0.805556 | -6.66 | C(CCl)Nc1ccc(cc1)C | 11 |
Structure and binding mode of 4hj2_ligand_4_2365.mol2(FDBF00643)
Important binding residues for 4hj2_ligand_4_2365.mol2(FDBF00643)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | GLY14 | -0.67 | -0.41 | -1.08 | 0.20 | -0.88 |
| 4hj2 | ARG15 | -0.69 | 0.27 | -0.42 | 0.10 | -0.32 |
| 4hj2 | LEU108 | -0.66 | 0.05 | -0.61 | 0.06 | -0.55 |
| 4hj2 | VAL111 | -0.83 | 0.08 | -0.75 | -0.16 | -0.91 |
| 4hj2 | PHE220 | -0.97 | 1.03 | 0.06 | -0.45 | -0.39 |
