Binding information for 3chr_ligand_2_20.mol2(FDBF07622)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chr_ligand_2_20.mol2 | 3chr | 0.514286 | -6.93 | OCc1ccccc1 | 8 |
Structure and binding mode of 3chr_ligand_2_20.mol2(FDBF07622)
Important binding residues for 3chr_ligand_2_20.mol2(FDBF07622)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chr | PHE314 | -1.41 | 0.26 | -1.15 | -0.02 | -1.17 |
| 3chr | VAL367 | -0.69 | -0.10 | -0.79 | -0.02 | -0.81 |
| 3chr | LEU369 | -0.75 | -0.19 | -0.94 | 0.28 | -0.66 |
| 3chr | ALA377 | -0.83 | -0.52 | -1.35 | 0.40 | -0.95 |
| 3chr | TYR378 | -0.76 | -0.53 | -1.29 | 0.61 | -0.68 |
| 3chr | PRO382 | -0.64 | -0.20 | -0.84 | 0.15 | -0.69 |
