Binding information for 1my8_ligand_3_7.mol2(FDBF00184)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1my8_ligand_3_7.mol2 | 1my8 | 1 | -6.67 | CC(=O)NCc1ccccc1 | 11 |
Structure and binding mode of 1my8_ligand_3_7.mol2(FDBF00184)
Important binding residues for 1my8_ligand_3_7.mol2(FDBF00184)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1my8 | ASN152 | -0.69 | -4.50 | -5.19 | 2.85 | -2.34 |
| 1my8 | TYR221 | -1.45 | -0.35 | -1.8 | 0.54 | -1.26 |
| 1my8 | LEU293 | -0.72 | 0.41 | -0.31 | -0.34 | -0.65 |
| 1my8 | ALA318 | -0.84 | -2.51 | -3.35 | 1.64 | -1.71 |
