Binding information for 3ezr_ligand_1_2.mol2(FDBF02608)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ezr_ligand_1_2.mol2 | 3ezr | 1 | -6.38 | c1cc(cc(c1)OC)N | 9 |
Structure and binding mode of 3ezr_ligand_1_2.mol2(FDBF02608)
Important binding residues for 3ezr_ligand_1_2.mol2(FDBF02608)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ezr | VAL18 | -0.23 | -0.12 | -0.35 | 0.03 | -0.32 |
| 3ezr | VAL64 | -0.56 | -0.21 | -0.77 | 0.41 | -0.36 |
| 3ezr | LEU66 | -0.24 | -0.12 | -0.36 | 0.05 | -0.32 |
| 3ezr | PHE80 | -1.72 | 1.11 | -0.61 | 0.31 | -0.31 |
| 3ezr | ALA144 | -1.00 | -1.16 | -2.16 | 0.52 | -1.65 |
