Binding information for 1wn6_ligand_1_6.mol2(FDBF00387)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wn6_ligand_1_6.mol2 | 1wn6 | 0.636364 | -5.36 | CN(C(=N)N)C | 6 |
Structure and binding mode of 1wn6_ligand_1_6.mol2(FDBF00387)
Important binding residues for 1wn6_ligand_1_6.mol2(FDBF00387)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wn6 | TYR47 | -1.32 | -0.10 | -1.42 | 0.66 | -0.76 |
