Binding information for 1bzf_ligand_3_10.mol2(FDBF02615)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bzf_ligand_3_10.mol2 | 1bzf | 0.891892 | -5.88 | O(C)c1cc(ccc1)NC | 10 |
Structure and binding mode of 1bzf_ligand_3_10.mol2(FDBF02615)
Important binding residues for 1bzf_ligand_3_10.mol2(FDBF02615)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bzf | LEU19 | -0.79 | 0.02 | -0.77 | 0.00 | -0.77 |
| 1bzf | LEU27 | -0.85 | 0.21 | -0.64 | -0.24 | -0.87 |
| 1bzf | PHE30 | -0.73 | -0.35 | -1.08 | 0.44 | -0.65 |
| 1bzf | PRO50 | -0.51 | -0.21 | -0.72 | 0.18 | -0.55 |
