Binding information for 4og8_ligand_2_0.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og8_ligand_2_0.mol2 | 4og8 | 0.805556 | -6.44 | COc1ccc(cc1)C#N | 10 |
Structure and binding mode of 4og8_ligand_2_0.mol2(FDBF03203)
Important binding residues for 4og8_ligand_2_0.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og8 | TYR319 | -1.28 | -0.07 | -1.35 | 0.36 | -0.99 |
| 4og8 | MET322 | -1.99 | 0.12 | -1.87 | 0.05 | -1.82 |
| 4og8 | TYR323 | -1.83 | -0.13 | -1.96 | 0.29 | -1.67 |
| 4og8 | ALA325 | -0.42 | -0.31 | -0.73 | 0.01 | -0.72 |
| 4og8 | GLY326 | -0.71 | 0.49 | -0.22 | -0.28 | -0.50 |
| 4og8 | TRP341 | -0.46 | -0.84 | -1.3 | 0.43 | -0.86 |
