Binding information for 2c5x_ligand_2_0.mol2(FDBF00268)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c5x_ligand_2_0.mol2 | 2c5x | 0.448276 | -6.73 | c1(ccccc1)C[n+]1c[nH]cn1 | 12 |
Structure and binding mode of 2c5x_ligand_2_0.mol2(FDBF00268)
Important binding residues for 2c5x_ligand_2_0.mol2(FDBF00268)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c5x | GLY13 | -0.62 | -0.37 | -0.99 | 0.19 | -0.80 |
| 2c5x | VAL18 | -0.50 | 0.08 | -0.42 | -0.21 | -0.63 |
| 2c5x | PHE80 | -1.08 | -0.15 | -1.23 | 0.23 | -1.00 |
| 2c5x | LEU134 | -0.76 | 0.11 | -0.65 | -0.19 | -0.84 |
| 2c5x | ALA144 | -0.47 | 0.17 | -0.3 | -0.24 | -0.54 |
