Binding information for 4l7c_ligand_1_2.mol2(FDBF02355)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l7c_ligand_1_2.mol2 | 4l7c | 0.804598 | -6.60 | O=CN1CCc2c(cccc2)[C@H]1C | 13 |
Structure and binding mode of 4l7c_ligand_1_2.mol2(FDBF02355)
Important binding residues for 4l7c_ligand_1_2.mol2(FDBF02355)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l7c | TYR334 | -0.40 | -0.05 | -0.45 | 0.10 | -0.36 |
| 4l7c | ARG415 | -1.90 | -3.22 | -5.12 | 3.10 | -2.01 |
| 4l7c | GLY462 | -0.46 | 0.15 | -0.31 | -0.02 | -0.33 |
| 4l7c | GLY509 | -0.48 | 0.14 | -0.34 | -0.13 | -0.48 |
| 4l7c | ALA556 | -1.41 | -0.31 | -1.72 | 0.02 | -1.69 |
| 4l7c | GLY603 | -0.45 | -0.13 | -0.58 | 0.17 | -0.41 |
