Binding information for 5afv_ligand_3_9.mol2(FDBF02596)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_3_9.mol2 | 5afv | 0.406977 | -6.49 | C(N1CN(N)C=N1)c1ccccc1 | 13 |
Structure and binding mode of 5afv_ligand_3_9.mol2(FDBF02596)
Important binding residues for 5afv_ligand_3_9.mol2(FDBF02596)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TRP420 | -2.18 | 0.91 | -1.27 | 0.64 | -0.62 |
| 5afv | ARG444 | -0.25 | -1.08 | -1.33 | 0.84 | -0.49 |
