Binding information for 3chr_ligand_2_11.mol2(FDBF06298)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chr_ligand_2_11.mol2 | 3chr | 0.805556 | -7.40 | CC(=O)Nc1ccccc1 | 10 |
Structure and binding mode of 3chr_ligand_2_11.mol2(FDBF06298)
Important binding residues for 3chr_ligand_2_11.mol2(FDBF06298)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chr | GLN136 | -2.62 | -2.19 | -4.81 | 2.66 | -2.15 |
| 3chr | ALA137 | -0.89 | -0.10 | -0.99 | -0.01 | -0.99 |
| 3chr | TYR267 | -1.48 | -1.46 | -2.94 | 1.57 | -1.37 |
| 3chr | MET270 | -0.43 | -0.34 | -0.77 | 0.24 | -0.53 |
| 3chr | PHE314 | -0.99 | -0.55 | -1.54 | 0.84 | -0.69 |
| 3chr | PRO374 | -0.82 | 0.33 | -0.49 | -0.09 | -0.59 |
| 3chr | TYR378 | -2.11 | -1.83 | -3.94 | 1.81 | -2.13 |
