Binding information for 1w9u_ligand_1_1.mol2(FDBF00385)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w9u_ligand_1_1.mol2 | 1w9u | 0.625 | -4.94 | CNC=[NH2] | 4 |
Structure and binding mode of 1w9u_ligand_1_1.mol2(FDBF00385)
Important binding residues for 1w9u_ligand_1_1.mol2(FDBF00385)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w9u | TRP137 | -1.12 | -1.26 | -2.38 | 1.15 | -1.23 |
| 1w9u | PHE251 | -0.99 | 0.03 | -0.96 | -0.30 | -1.27 |
