Binding information for 4bzo_ligand_2_5.mol2(FDBF00182)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bzo_ligand_2_5.mol2 | 4bzo | 1 | -6.06 | c1(ccccc1)CNC=O | 10 |
Structure and binding mode of 4bzo_ligand_2_5.mol2(FDBF00182)
Important binding residues for 4bzo_ligand_2_5.mol2(FDBF00182)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bzo | LEU44 | -2.02 | -1.91 | -3.93 | 1.72 | -2.21 |
| 4bzo | GLY45 | -0.65 | 0.13 | -0.52 | -0.05 | -0.56 |
| 4bzo | PHE49 | -0.40 | -0.23 | -0.63 | 0.22 | -0.41 |
| 4bzo | VAL52 | -0.44 | 0.12 | -0.32 | -0.38 | -0.70 |
| 4bzo | VAL126 | -0.41 | 0.02 | -0.39 | -0.06 | -0.45 |
| 4bzo | GLN127 | -0.24 | -0.11 | -0.35 | -0.01 | -0.37 |
| 4bzo | LEU174 | -0.64 | 0.04 | -0.6 | -0.06 | -0.66 |
