Binding information for 3n7r_ligand_1_3.mol2(FDBF00784)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3n7r_ligand_1_3.mol2 | 3n7r | 0.861111 | -6.28 | CN1C(=O)CCCCC1 | 9 |
Structure and binding mode of 3n7r_ligand_1_3.mol2(FDBF00784)
Important binding residues for 3n7r_ligand_1_3.mol2(FDBF00784)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3n7r | ILE41 | -0.39 | 0.06 | -0.33 | -0.14 | -0.48 |
| 3n7r | TRP72 | -1.57 | -1.26 | -2.83 | 1.65 | -1.18 |
| 3n7r | TRP74 | -1.88 | -0.48 | -2.36 | 1.17 | -1.20 |
| 3n7r | TRP84 | -1.21 | -0.15 | -1.36 | 0.52 | -0.83 |
