Binding information for 5ar7_ligand_1_3.mol2(FDBF00360)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ar7_ligand_1_3.mol2 | 5ar7 | 0.814815 | -6.18 | Oc1ccncc1 | 7 |
Structure and binding mode of 5ar7_ligand_1_3.mol2(FDBF00360)
Important binding residues for 5ar7_ligand_1_3.mol2(FDBF00360)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ar7 | VAL32 | -0.61 | -0.14 | -0.75 | -0.13 | -0.88 |
| 5ar7 | ALA45 | -0.94 | -0.22 | -1.16 | 0.03 | -1.13 |
| 5ar7 | THR95 | -0.52 | -0.32 | -0.84 | 0.42 | -0.42 |
| 5ar7 | TYR97 | -1.25 | -1.26 | -2.51 | 0.45 | -2.06 |
| 5ar7 | MET98 | -0.04 | -2.31 | -2.35 | 0.68 | -1.68 |
| 5ar7 | LEU153 | -0.88 | -0.50 | -1.38 | 0.51 | -0.87 |
| 5ar7 | PHE165 | -0.73 | -0.09 | -0.82 | 0.43 | -0.39 |
