Binding information for 3f78_ligand.mol2(FDBF07577)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f78_ligand.mol2 | 3f78 | 0.56 | -6.22 | FC(F)(F)[C@H](Cl)OC(F)F | 11 |
Structure and binding mode of 3f78_ligand.mol2(FDBF07577)
Important binding residues for 3f78_ligand.mol2(FDBF07577)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f78 | ILE235 | -1.06 | -0.13 | -1.19 | 0.08 | -1.12 |
| 3f78 | TYR257 | -2.36 | -0.75 | -3.11 | 0.39 | -2.71 |
| 3f78 | ILE259 | -0.58 | -0.05 | -0.63 | 0.04 | -0.59 |
| 3f78 | LEU298 | -0.69 | -0.08 | -0.77 | 0.13 | -0.64 |
| 3f78 | GLU301 | -0.79 | 0.62 | -0.17 | -0.25 | -0.42 |
| 3f78 | LEU302 | -0.47 | -0.49 | -0.96 | 0.63 | -0.33 |
