Binding information for 1n95_ligand_1_3.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n95_ligand_1_3.mol2 | 1n95 | 0.25 | -4.81 | C[NH2+]C | 3 |
Structure and binding mode of 1n95_ligand_1_3.mol2(FDBF00001)
Important binding residues for 1n95_ligand_1_3.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1n95 | LEU96 | -0.10 | -14.44 | -14.54 | 14.22 | -0.31 |
| 1n95 | ASP297 | -0.01 | -19.69 | -19.7 | 19.23 | -0.48 |
| 1n95 | TYR361 | -0.23 | 0.01 | -0.22 | -0.16 | -0.38 |
