Binding information for 4mu7_ligand_2_15.mol2(FDBF01230)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mu7_ligand_2_15.mol2 | 4mu7 | 0.609375 | -7.08 | C(=O)(N1C[C@@H]2Cc3ccccc3N2CC1)CC1CCCCC1 | 22 |
Structure and binding mode of 4mu7_ligand_2_15.mol2(FDBF01230)
Important binding residues for 4mu7_ligand_2_15.mol2(FDBF01230)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mu7 | LEU307 | -1.35 | -2.08 | -3.43 | 0.67 | -2.76 |
| 4mu7 | ARG308 | -2.07 | -2.41 | -4.48 | 2.24 | -2.25 |
| 4mu7 | CYS309 | -1.21 | 0.21 | -1 | 0.55 | -0.45 |
| 4mu7 | TRP323 | -4.36 | -0.20 | -4.56 | 1.50 | -3.05 |
| 4mu7 | PHE324 | -0.95 | 0.16 | -0.79 | 0.34 | -0.45 |
