Binding information for 1bzf_ligand_4_12.mol2(FDBF02610)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bzf_ligand_4_12.mol2 | 1bzf | 0.846154 | -5.71 | O(C)c1ccc(cc1OC)NC | 12 |
Structure and binding mode of 1bzf_ligand_4_12.mol2(FDBF02610)
Important binding residues for 1bzf_ligand_4_12.mol2(FDBF02610)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bzf | LEU19 | -0.99 | 0.06 | -0.93 | 0.10 | -0.83 |
| 1bzf | LEU27 | -0.96 | -0.02 | -0.98 | 0.20 | -0.78 |
| 1bzf | PHE30 | -0.51 | -0.09 | -0.6 | 0.13 | -0.47 |
| 1bzf | PHE49 | -0.56 | -0.35 | -0.91 | 0.41 | -0.50 |
| 1bzf | PRO50 | -0.52 | -0.50 | -1.02 | 0.43 | -0.59 |
