Binding information for 4ytf_ligand_2_9.mol2(FDBF04541)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ytf_ligand_2_9.mol2 | 4ytf | 0.833333 | -5.47 | C(F)(F)(F)CNC=O | 8 |
Structure and binding mode of 4ytf_ligand_2_9.mol2(FDBF04541)
Important binding residues for 4ytf_ligand_2_9.mol2(FDBF04541)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ytf | VAL863 | -0.50 | -0.35 | -0.85 | 0.21 | -0.64 |
| 4ytf | ILE982 | -0.45 | -0.11 | -0.56 | 0.17 | -0.39 |
| 4ytf | LEU983 | -0.49 | -0.18 | -0.67 | 0.12 | -0.55 |
