Binding information for 4hj2_ligand_4_2316.mol2(FDBF00652)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2316.mol2 | 4hj2 | 0.805556 | -6.87 | CCNc1ccc(cc1)C | 10 |
Structure and binding mode of 4hj2_ligand_4_2316.mol2(FDBF00652)
Important binding residues for 4hj2_ligand_4_2316.mol2(FDBF00652)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.88 | -0.21 | -1.09 | 0.58 | -0.52 |
| 4hj2 | GLY14 | -0.73 | -0.43 | -1.16 | 0.40 | -0.77 |
| 4hj2 | ARG15 | -0.82 | -1.07 | -1.89 | 1.42 | -0.48 |
| 4hj2 | LEU108 | -0.57 | 0.04 | -0.53 | 0.06 | -0.47 |
| 4hj2 | VAL111 | -0.71 | -0.01 | -0.72 | -0.06 | -0.78 |
| 4hj2 | PHE220 | -1.08 | -0.96 | -2.04 | 1.25 | -0.79 |
