Binding information for 4nud_ligand_1_1.mol2(FDBF07070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nud_ligand_1_1.mol2 | 4nud | 1 | -5.84 | N=Nc1ccccc1 | 8 |
Structure and binding mode of 4nud_ligand_1_1.mol2(FDBF07070)
Important binding residues for 4nud_ligand_1_1.mol2(FDBF07070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nud | PRO82 | -0.75 | -0.15 | -0.9 | 0.14 | -0.76 |
| 4nud | LEU92 | -1.49 | -0.20 | -1.69 | 0.00 | -1.69 |
| 4nud | LEU94 | -0.28 | -0.07 | -0.35 | -0.02 | -0.37 |
| 4nud | ILE146 | -0.40 | -0.01 | -0.41 | -0.10 | -0.50 |
