Binding information for 1rm8_ligand_5_633.mol2(FDBF00187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rm8_ligand_5_633.mol2 | 1rm8 | 1 | -6.87 | C(C)(C)C[C@@H](C(=O)NC)C | 10 |
Structure and binding mode of 1rm8_ligand_5_633.mol2(FDBF00187)
Important binding residues for 1rm8_ligand_5_633.mol2(FDBF00187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rm8 | PHE205 | -0.91 | -2.60 | -3.51 | 0.79 | -2.73 |
| 1rm8 | LEU206 | -1.28 | -3.06 | -4.34 | 1.22 | -3.12 |
| 1rm8 | VAL243 | -0.70 | -0.12 | -0.82 | 0.20 | -0.62 |
| 1rm8 | PRO266 | -0.65 | -2.77 | -3.42 | 2.98 | -0.44 |
| 1rm8 | PHE267 | -1.40 | -0.19 | -1.59 | 0.72 | -0.86 |
| 1rm8 | TYR268 | -1.47 | -0.13 | -1.6 | 0.28 | -1.32 |
