Binding information for 4oma_ligand_1_0.mol2(FDBF00132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oma_ligand_1_0.mol2 | 4oma | 0.857143 | -6.79 | Cc1c(c(ncc1)C)O | 9 |
Structure and binding mode of 4oma_ligand_1_0.mol2(FDBF00132)
Important binding residues for 4oma_ligand_1_0.mol2(FDBF00132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oma | ILE89 | -0.42 | 0.05 | -0.37 | -0.13 | -0.50 |
| 4oma | ILE92 | -0.36 | 0.01 | -0.35 | -0.05 | -0.39 |
| 4oma | ILE112 | -0.10 | 0.04 | -0.06 | -0.26 | -0.31 |
| 4oma | TYR113 | -2.00 | 0.49 | -1.51 | 0.12 | -1.39 |
| 4oma | THR187 | -1.37 | 0.29 | -1.08 | -0.14 | -1.22 |
| 4oma | PHE188 | -0.70 | 0.17 | -0.53 | 0.14 | -0.39 |
| 4oma | SER207 | -0.95 | -0.25 | -1.2 | 0.14 | -1.07 |
| 4oma | LEU340 | -0.35 | 0.06 | -0.29 | -0.10 | -0.39 |
