Binding information for 4nau_ligand_1_0.mol2(FDBF06915)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nau_ligand_1_0.mol2 | 4nau | 0.770833 | -5.93 | C(C)c1ccncn1 | 8 |
Structure and binding mode of 4nau_ligand_1_0.mol2(FDBF06915)
Important binding residues for 4nau_ligand_1_0.mol2(FDBF06915)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nau | PRO9 | -0.56 | 0.05 | -0.51 | 0.17 | -0.35 |
| 4nau | LEU75 | -0.74 | -0.26 | -1 | 0.15 | -0.85 |
| 4nau | LEU103 | -1.50 | -0.02 | -1.52 | -0.13 | -1.65 |
