Binding information for 4n07_ligand_frag_1.mol2(FDBF01278)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n07_ligand_frag_1.mol2 | 4n07 | 0.374194 | -6.85 | N1CNS(=O)(=O)c2c1ccc(F)c2 | 13 |
Structure and binding mode of 4n07_ligand_frag_1.mol2(FDBF01278)
Important binding residues for 4n07_ligand_frag_1.mol2(FDBF01278)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n07 | LYS104 | -0.75 | -5.91 | -6.66 | 4.56 | -2.10 |
| 4n07 | LEU239 | -0.93 | -0.56 | -1.49 | 0.49 | -0.99 |
| 4n07 | SER242 | -0.57 | -1.56 | -2.13 | 1.58 | -0.56 |
