Binding information for 1c70_ligand_1_11.mol2(FDBF00379)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c70_ligand_1_11.mol2 | 1c70 | 0.681818 | -6.60 | Cc1oc2ccccc2c1 | 10 |
Structure and binding mode of 1c70_ligand_1_11.mol2(FDBF00379)
Important binding residues for 1c70_ligand_1_11.mol2(FDBF00379)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c70 | ILE50 | -2.19 | 0.02 | -2.17 | 0.55 | -1.62 |
| 1c70 | THR280 | -1.51 | 0.24 | -1.27 | 0.32 | -0.95 |
| 1c70 | PRO281 | -1.53 | -0.31 | -1.84 | 0.23 | -1.62 |
| 1c70 | VAL282 | -0.67 | 0.17 | -0.5 | -0.09 | -0.59 |
| 1c70 | ILE284 | -0.50 | -0.03 | -0.53 | -0.01 | -0.53 |
