Binding information for 4n07_ligand.mol2(FDBF01278)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n07_ligand.mol2 | 4n07 | 0.345029 | -7.38 | C1CC1N1CNS(=O)(=O)c2c1ccc(F)c2 | 17 |
Structure and binding mode of 4n07_ligand.mol2(FDBF01278)
Important binding residues for 4n07_ligand.mol2(FDBF01278)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n07 | LYS104 | -0.80 | -5.57 | -6.37 | 4.65 | -1.72 |
| 4n07 | PRO105 | -2.36 | -2.76 | -5.12 | 3.11 | -2.01 |
| 4n07 | PHE106 | -0.99 | -0.42 | -1.41 | 0.71 | -0.71 |
| 4n07 | MET107 | -0.88 | 0.63 | -0.25 | -0.35 | -0.61 |
| 4n07 | LEU239 | -0.92 | -0.49 | -1.41 | 0.49 | -0.92 |
| 4n07 | SER242 | -0.80 | -2.07 | -2.87 | 2.45 | -0.42 |
| 4n07 | LEU247 | -0.58 | 2.89 | 2.31 | -2.62 | -0.31 |
