Binding information for 4og6_ligand_2_20.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og6_ligand_2_20.mol2 | 4og6 | 0.805556 | -6.41 | COc1ccc(cc1)C#N | 10 |
Structure and binding mode of 4og6_ligand_2_20.mol2(FDBF03203)
Important binding residues for 4og6_ligand_2_20.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og6 | TYR319 | -1.29 | -0.05 | -1.34 | 0.35 | -1.00 |
| 4og6 | MET322 | -1.87 | 0.12 | -1.75 | 0.07 | -1.68 |
| 4og6 | TYR323 | -1.85 | -0.17 | -2.02 | 0.31 | -1.71 |
| 4og6 | ALA325 | -0.40 | -0.28 | -0.68 | 0.00 | -0.69 |
| 4og6 | GLY326 | -0.69 | 0.48 | -0.21 | -0.28 | -0.50 |
| 4og6 | TRP341 | -0.55 | -0.79 | -1.34 | 0.45 | -0.89 |
