Binding information for 4dr9_ligand_2_0.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dr9_ligand_2_0.mol2 | 4dr9 | 0.642857 | -6.38 | CCC(=O)NO | 6 |
Structure and binding mode of 4dr9_ligand_2_0.mol2(FDBF00165)
Important binding residues for 4dr9_ligand_2_0.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dr9 | LEU62 | -0.59 | -0.05 | -0.64 | 0.05 | -0.59 |
| 4dr9 | CYS109 | -0.72 | -0.58 | -1.3 | -0.14 | -1.45 |
| 4dr9 | GLU152 | 2.86 | -17.27 | -14.41 | 12.99 | -1.42 |
