Binding information for 4og4_ligand_2_0.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og4_ligand_2_0.mol2 | 4og4 | 0.805556 | -6.42 | COc1ccc(cc1)C#N | 10 |
Structure and binding mode of 4og4_ligand_2_0.mol2(FDBF03203)
Important binding residues for 4og4_ligand_2_0.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og4 | TYR319 | -1.33 | -0.19 | -1.52 | 0.46 | -1.06 |
| 4og4 | MET322 | -1.30 | 0.10 | -1.2 | 0.12 | -1.08 |
| 4og4 | TYR323 | -1.93 | -0.21 | -2.14 | 0.32 | -1.82 |
| 4og4 | ALA325 | -0.43 | -0.30 | -0.73 | -0.02 | -0.75 |
| 4og4 | GLY326 | -0.73 | 0.54 | -0.19 | -0.31 | -0.50 |
| 4og4 | TRP341 | -0.49 | -0.81 | -1.3 | 0.42 | -0.88 |
