Binding information for 2i40_ligand_2_12.mol2(FDBF03178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i40_ligand_2_12.mol2 | 2i40 | 0.846154 | -6.34 | c1(ccccc1Cl)[C@@H](C)O | 10 |
Structure and binding mode of 2i40_ligand_2_12.mol2(FDBF03178)
Important binding residues for 2i40_ligand_2_12.mol2(FDBF03178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2i40 | GLY11 | -0.30 | -0.12 | -0.42 | 0.08 | -0.34 |
| 2i40 | TYR15 | -1.00 | 0.01 | -0.99 | 0.44 | -0.55 |
| 2i40 | LEU134 | -0.31 | -0.07 | -0.38 | 0.01 | -0.37 |
