Binding information for 1ci7_ligand_2_8.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ci7_ligand_2_8.mol2 | 1ci7 | 1 | -6.30 | CNc1ccccc1 | 8 |
Structure and binding mode of 1ci7_ligand_2_8.mol2(FDBF00049)
Important binding residues for 1ci7_ligand_2_8.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ci7 | ILE86 | -0.99 | -0.52 | -1.51 | 0.52 | -0.99 |
| 1ci7 | LEU205 | -0.94 | -0.48 | -1.42 | 0.30 | -1.11 |
| 1ci7 | PHE209 | -1.48 | 0.25 | -1.23 | 0.36 | -0.87 |
| 1ci7 | MET295 | -0.51 | -0.18 | -0.69 | 0.18 | -0.52 |
