Binding information for 1f0s_ligand_1_2.mol2(FDBF02735)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1f0s_ligand_1_2.mol2 | 1f0s | 1 | -5.55 | CN1C(=O)CCC1 | 7 |
Structure and binding mode of 1f0s_ligand_1_2.mol2(FDBF02735)
Important binding residues for 1f0s_ligand_1_2.mol2(FDBF02735)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1f0s | TRP215 | -0.52 | 0.26 | -0.26 | -0.13 | -0.38 |
| 1f0s | GLU217 | -0.71 | 5.22 | 4.51 | -5.43 | -0.93 |
