Binding information for 1ci7_ligand_2_15.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ci7_ligand_2_15.mol2 | 1ci7 | 1 | -6.32 | CNc1ccccc1 | 8 |
Structure and binding mode of 1ci7_ligand_2_15.mol2(FDBF00049)
Important binding residues for 1ci7_ligand_2_15.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ci7 | ILE86 | -0.91 | -0.50 | -1.41 | 0.41 | -1.00 |
| 1ci7 | LEU205 | -0.94 | -0.49 | -1.43 | 0.33 | -1.11 |
| 1ci7 | PHE209 | -1.87 | 0.34 | -1.53 | 0.43 | -1.09 |
| 1ci7 | MET295 | -0.45 | -0.15 | -0.6 | 0.15 | -0.45 |
