Binding information for 1lxf_ligand_3_72.mol2(FDBF02825)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lxf_ligand_3_72.mol2 | 1lxf | 1 | -6.75 | CCNc1ccccc1 | 9 |
Structure and binding mode of 1lxf_ligand_3_72.mol2(FDBF02825)
Important binding residues for 1lxf_ligand_3_72.mol2(FDBF02825)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lxf | ILE36 | -0.71 | -0.09 | -0.8 | 0.03 | -0.77 |
| 1lxf | MET60 | -1.13 | 0.37 | -0.76 | 0.05 | -0.72 |
| 1lxf | VAL64 | -0.45 | -0.12 | -0.57 | -0.00 | -0.58 |
