Binding information for 1n94_ligand_2_25.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1n94_ligand_2_25.mol2 | 1n94 | 0.25 | -4.80 | C[NH2+]C | 3 |
Structure and binding mode of 1n94_ligand_2_25.mol2(FDBF00001)
Important binding residues for 1n94_ligand_2_25.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1n94 | ASP297 | -0.02 | -36.05 | -36.07 | 35.49 | -0.58 |
