Binding information for 1wn6_ligand_2_20.mol2(FDBF06804)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wn6_ligand_2_20.mol2 | 1wn6 | 1 | -5.53 | CCN(C(=N)N)C | 7 |
Structure and binding mode of 1wn6_ligand_2_20.mol2(FDBF06804)
Important binding residues for 1wn6_ligand_2_20.mol2(FDBF06804)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wn6 | TYR47 | -1.52 | -0.10 | -1.62 | 0.68 | -0.93 |
