Binding information for 1bzf_ligand_4_11.mol2(FDBF02615)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bzf_ligand_4_11.mol2 | 1bzf | 1 | -5.75 | O(C)c1cc(cc(OC)c1)NC | 12 |
Structure and binding mode of 1bzf_ligand_4_11.mol2(FDBF02615)
Important binding residues for 1bzf_ligand_4_11.mol2(FDBF02615)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bzf | LEU19 | -0.98 | 0.02 | -0.96 | 0.14 | -0.82 |
| 1bzf | LEU27 | -1.32 | 0.13 | -1.19 | -0.17 | -1.36 |
| 1bzf | PHE30 | -0.75 | -0.39 | -1.14 | 0.48 | -0.65 |
| 1bzf | PRO50 | -0.56 | -0.29 | -0.85 | 0.26 | -0.60 |
