Binding information for 4ez3_ligand_1_1.mol2(FDBF07070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ez3_ligand_1_1.mol2 | 4ez3 | 1 | -6.26 | N=Nc1ccccc1 | 8 |
Structure and binding mode of 4ez3_ligand_1_1.mol2(FDBF07070)
Important binding residues for 4ez3_ligand_1_1.mol2(FDBF07070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ez3 | ILE10 | -0.93 | -0.40 | -1.33 | 0.14 | -1.19 |
| 4ez3 | PHE82 | -0.71 | -0.08 | -0.79 | 0.14 | -0.65 |
| 4ez3 | GLN85 | -0.99 | -0.05 | -1.04 | 0.02 | -1.02 |
| 4ez3 | LEU134 | -0.98 | -0.18 | -1.16 | -0.01 | -1.17 |
