Binding information for 1ym4_ligand_3_123.mol2(FDBF01785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ym4_ligand_3_123.mol2 | 1ym4 | 1 | -6.26 | C(C)(C)CCCO | 7 |
Structure and binding mode of 1ym4_ligand_3_123.mol2(FDBF01785)
Important binding residues for 1ym4_ligand_3_123.mol2(FDBF01785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ym4 | LEU30 | -0.65 | -0.21 | -0.86 | 0.31 | -0.55 |
| 1ym4 | GLY34 | -0.42 | -0.76 | -1.18 | -0.53 | -1.70 |
| 1ym4 | SER35 | -0.27 | -0.19 | -0.46 | 0.13 | -0.32 |
| 1ym4 | TYR71 | -1.83 | 0.11 | -1.72 | 0.66 | -1.06 |
| 1ym4 | PHE108 | -0.57 | -0.02 | -0.59 | 0.24 | -0.35 |
| 1ym4 | ILE118 | -0.59 | -0.05 | -0.64 | -0.03 | -0.67 |
| 1ym4 | GLY230 | -1.14 | -0.11 | -1.25 | 0.33 | -0.92 |
