Binding information for 3frz_ligand_1_6.mol2(FDBF00591)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3frz_ligand_1_6.mol2 | 3frz | 0.654545 | -6.19 | C(C)c1ncccc1 | 8 |
Structure and binding mode of 3frz_ligand_1_6.mol2(FDBF00591)
Important binding residues for 3frz_ligand_1_6.mol2(FDBF00591)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3frz | LEU419 | -0.70 | 0.02 | -0.68 | 0.06 | -0.61 |
| 3frz | MET423 | -0.63 | -0.08 | -0.71 | 0.04 | -0.67 |
| 3frz | ILE482 | -1.82 | -0.09 | -1.91 | -0.00 | -1.91 |
| 3frz | VAL485 | -0.63 | 0.02 | -0.61 | 0.10 | -0.51 |
| 3frz | ALA486 | -0.49 | -0.13 | -0.62 | 0.11 | -0.51 |
| 3frz | LEU497 | -1.47 | -0.25 | -1.72 | 0.14 | -1.58 |
