Binding information for 4qqc_ligand_3_119.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qqc_ligand_3_119.mol2 | 4qqc | 0.727273 | -6.61 | N(C(=O)CC)c1ccc(cc1)C | 12 |
Structure and binding mode of 4qqc_ligand_3_119.mol2(FDBF01734)
Important binding residues for 4qqc_ligand_3_119.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4qqc | LEU473 | -0.97 | 0.27 | -0.7 | 0.24 | -0.46 |
| 4qqc | GLY474 | -0.76 | -1.31 | -2.07 | 0.77 | -1.29 |
| 4qqc | PHE478 | -1.60 | -0.23 | -1.83 | 0.66 | -1.17 |
| 4qqc | VAL481 | -0.80 | 0.14 | -0.66 | -0.19 | -0.85 |
| 4qqc | PHE631 | -1.02 | -0.20 | -1.22 | 0.53 | -0.70 |
