Binding information for 1w9u_ligand_2_9.mol2(FDBF01114)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w9u_ligand_2_9.mol2 | 1w9u | 0.692308 | -5.08 | C(C)NC=[NH2] | 5 |
Structure and binding mode of 1w9u_ligand_2_9.mol2(FDBF01114)
Important binding residues for 1w9u_ligand_2_9.mol2(FDBF01114)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w9u | TRP137 | -1.49 | -1.40 | -2.89 | 1.38 | -1.52 |
| 1w9u | PHE251 | -1.05 | 0.07 | -0.98 | -0.34 | -1.32 |
