Binding information for 1rm8_ligand_6_825.mol2(FDBF00348)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rm8_ligand_6_825.mol2 | 1rm8 | 1 | -6.84 | C(=O)(N[C@H](C(=O)NC)C)C(C)C | 12 |
Structure and binding mode of 1rm8_ligand_6_825.mol2(FDBF00348)
Important binding residues for 1rm8_ligand_6_825.mol2(FDBF00348)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rm8 | GLY204 | -0.63 | -2.62 | -3.25 | 1.81 | -1.44 |
| 1rm8 | PHE205 | -1.12 | -2.45 | -3.57 | 0.97 | -2.60 |
| 1rm8 | LEU206 | -1.46 | -2.93 | -4.39 | 1.22 | -3.17 |
| 1rm8 | PRO266 | -0.65 | -3.16 | -3.81 | 2.75 | -1.07 |
| 1rm8 | PHE267 | -1.89 | -2.87 | -4.76 | 2.10 | -2.67 |
| 1rm8 | TYR268 | -0.85 | -2.45 | -3.3 | 0.73 | -2.57 |
