Binding information for 3ezv_ligand_frag_1.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ezv_ligand_frag_1.mol2 | 3ezv | 1 | -6.44 | c1ccc(cc1)N | 7 |
Structure and binding mode of 3ezv_ligand_frag_1.mol2(FDBF00046)
Important binding residues for 3ezv_ligand_frag_1.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ezv | VAL18 | -0.23 | -0.02 | -0.25 | -0.09 | -0.33 |
| 3ezv | VAL64 | -0.52 | -0.10 | -0.62 | 0.14 | -0.47 |
| 3ezv | ALA144 | -0.74 | -1.01 | -1.75 | 0.49 | -1.26 |
| 3ezv | ASP145 | -0.66 | -1.02 | -1.68 | 0.95 | -0.73 |
| 3ezv | PHE146 | -0.77 | -0.68 | -1.45 | 0.91 | -0.53 |
