Binding information for 4cl6_ligand_2_0.mol2(FDBF03644)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cl6_ligand_2_0.mol2 | 4cl6 | 1 | -6.96 | Clc1ccc(cc1)C[NH3+] | 9 |
Structure and binding mode of 4cl6_ligand_2_0.mol2(FDBF03644)
Important binding residues for 4cl6_ligand_2_0.mol2(FDBF03644)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cl6 | LEU28 | -1.25 | 0.58 | -0.67 | -0.50 | -1.18 |
| 4cl6 | PRO29 | -0.35 | -16.40 | -16.75 | 16.36 | -0.39 |
| 4cl6 | PHE92 | -0.89 | 0.86 | -0.03 | -0.75 | -0.78 |
| 4cl6 | ALA105 | -0.63 | 0.86 | 0.23 | -1.06 | -0.83 |
| 4cl6 | VAL162 | -0.61 | 1.47 | 0.86 | -1.24 | -0.38 |
