Binding information for 4yti_ligand_2_15.mol2(FDBF04541)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yti_ligand_2_15.mol2 | 4yti | 0.833333 | -5.45 | C(=O)NCC(F)(F)F | 8 |
Structure and binding mode of 4yti_ligand_2_15.mol2(FDBF04541)
Important binding residues for 4yti_ligand_2_15.mol2(FDBF04541)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4yti | ILE982 | -0.45 | -0.45 | -0.9 | 0.39 | -0.51 |
| 4yti | LEU983 | -0.45 | 0.06 | -0.39 | -0.09 | -0.47 |
| 4yti | GLY993 | -0.58 | -0.97 | -1.55 | 0.81 | -0.74 |
