Binding information for 2c94_ligand_4_120.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c94_ligand_4_120.mol2 | 2c94 | 0.785714 | -5.74 | C(CCC)C(F)F | 7 |
Structure and binding mode of 2c94_ligand_4_120.mol2(FDBF03175)
Important binding residues for 2c94_ligand_4_120.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c94 | TRP27 | -0.70 | -0.07 | -0.77 | 0.27 | -0.50 |
| 2c94 | VAL82 | -0.40 | 0.01 | -0.39 | -0.08 | -0.47 |
| 2c94 | ARG84 | -0.43 | 0.04 | -0.39 | 0.05 | -0.35 |
| 2c94 | THR87 | -0.38 | -0.40 | -0.78 | 0.27 | -0.51 |
| 2c94 | PHE90 | -0.98 | 0.08 | -0.9 | 0.05 | -0.85 |
| 2c94 | VAL93 | -0.43 | 0.09 | -0.34 | -0.18 | -0.52 |
