Binding information for 4cl6_ligand_1_1.mol2(FDBF00205)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cl6_ligand_1_1.mol2 | 4cl6 | 1 | -7.15 | Clc1ccc(cc1)C | 8 |
Structure and binding mode of 4cl6_ligand_1_1.mol2(FDBF00205)
Important binding residues for 4cl6_ligand_1_1.mol2(FDBF00205)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cl6 | PHE71 | -0.86 | -0.21 | -1.07 | 0.54 | -0.52 |
| 4cl6 | ALA26 | -0.45 | -0.03 | -0.48 | -0.03 | -0.51 |
| 4cl6 | LEU28 | -1.24 | -0.12 | -1.36 | 0.06 | -1.30 |
| 4cl6 | GLY91 | -0.70 | -0.00 | -0.7 | -0.03 | -0.74 |
| 4cl6 | PHE92 | -0.89 | 0.24 | -0.65 | -0.06 | -0.71 |
| 4cl6 | GLY103 | -0.80 | -0.57 | -1.37 | 0.87 | -0.50 |
| 4cl6 | ARG104 | -0.72 | 1.10 | 0.38 | -0.68 | -0.31 |
| 4cl6 | ALA105 | -0.50 | 0.09 | -0.41 | -0.05 | -0.46 |
| 4cl6 | VAL162 | -0.61 | 0.04 | -0.57 | -0.03 | -0.60 |
