Binding information for 1bzf_ligand_3_12.mol2(FDBF02615)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bzf_ligand_3_12.mol2 | 1bzf | 0.891892 | -5.84 | O(C)c1cccc(c1)NC | 10 |
Structure and binding mode of 1bzf_ligand_3_12.mol2(FDBF02615)
Important binding residues for 1bzf_ligand_3_12.mol2(FDBF02615)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bzf | LEU19 | -0.97 | 0.03 | -0.94 | 0.13 | -0.82 |
| 1bzf | LEU27 | -1.24 | -0.11 | -1.35 | 0.04 | -1.31 |
| 1bzf | PHE30 | -0.45 | -0.12 | -0.57 | 0.16 | -0.41 |
| 1bzf | PHE49 | -0.53 | -0.23 | -0.76 | 0.28 | -0.49 |
| 1bzf | PRO50 | -0.39 | -0.17 | -0.56 | 0.13 | -0.43 |
