Binding information for 2wi4_ligand_1_2.mol2(FDBF07070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wi4_ligand_1_2.mol2 | 2wi4 | 1 | -5.73 | N=Nc1ccccc1 | 8 |
Structure and binding mode of 2wi4_ligand_1_2.mol2(FDBF07070)
Important binding residues for 2wi4_ligand_1_2.mol2(FDBF07070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wi4 | ILE96 | -0.28 | -0.03 | -0.31 | -0.07 | -0.38 |
| 2wi4 | MET98 | -0.77 | 0.08 | -0.69 | 0.11 | -0.58 |
