Binding information for 1h07_ligand_2_8.mol2(FDBF04039)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h07_ligand_2_8.mol2 | 1h07 | 0.877193 | -7.39 | N(c1ccccc1)c1ccncn1 | 13 |
Structure and binding mode of 1h07_ligand_2_8.mol2(FDBF04039)
Important binding residues for 1h07_ligand_2_8.mol2(FDBF04039)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h07 | ILE10 | -2.09 | -0.29 | -2.38 | 0.17 | -2.21 |
| 1h07 | VAL18 | -0.33 | -0.04 | -0.37 | -0.07 | -0.44 |
| 1h07 | ALA31 | -0.91 | 0.00 | -0.91 | -0.06 | -0.97 |
| 1h07 | VAL64 | -0.50 | -0.10 | -0.6 | -0.05 | -0.64 |
| 1h07 | PHE80 | -0.72 | 0.10 | -0.62 | -0.06 | -0.69 |
| 1h07 | PHE82 | -1.73 | -1.20 | -2.93 | 0.52 | -2.41 |
| 1h07 | LEU83 | 0.68 | -4.34 | -3.66 | 2.55 | -1.12 |
| 1h07 | HIS84 | -0.86 | -0.23 | -1.09 | 0.45 | -0.65 |
| 1h07 | GLN85 | -0.85 | -0.15 | -1 | 0.09 | -0.91 |
| 1h07 | LEU134 | -1.32 | -0.20 | -1.52 | -0.08 | -1.60 |
