Binding information for 4oyt_ligand_2_6.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oyt_ligand_2_6.mol2 | 4oyt | 1 | -6.39 | CNc1ccccc1 | 8 |
Structure and binding mode of 4oyt_ligand_2_6.mol2(FDBF00049)
Important binding residues for 4oyt_ligand_2_6.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oyt | LEU124 | -0.98 | -0.15 | -1.13 | -0.01 | -1.15 |
| 4oyt | LEU130 | -0.88 | 0.05 | -0.83 | -0.13 | -0.96 |
| 4oyt | VAL141 | -0.32 | -0.09 | -0.41 | 0.02 | -0.39 |
| 4oyt | PHE266 | -0.63 | 0.18 | -0.45 | 0.06 | -0.39 |
| 4oyt | PRO267 | -0.55 | 0.07 | -0.48 | 0.01 | -0.47 |
