Binding information for 4nl1_ligand.mol2(FDBF00167)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nl1_ligand.mol2 | 4nl1 | 0.763158 | -6.57 | FC(F)(F)c1ccc(C[NH2+]C)cc1 | 14 |
Structure and binding mode of 4nl1_ligand.mol2(FDBF00167)
Important binding residues for 4nl1_ligand.mol2(FDBF00167)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nl1 | LEU235 | -1.98 | 2.18 | 0.2 | -2.24 | -2.05 |
| 4nl1 | GLU260 | -1.02 | -26.62 | -27.64 | 26.79 | -0.84 |
