Binding information for 5c26_ligand_3_11.mol2(FDBF02609)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5c26_ligand_3_11.mol2 | 5c26 | 1 | -6.13 | Nc1cc(OC)c(OC)cc1 | 11 |
Structure and binding mode of 5c26_ligand_3_11.mol2(FDBF02609)
Important binding residues for 5c26_ligand_3_11.mol2(FDBF02609)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5c26 | LEU377 | -1.78 | 0.16 | -1.62 | 0.07 | -1.55 |
| 5c26 | MET450 | -0.64 | -0.02 | -0.66 | 0.13 | -0.53 |
| 5c26 | LEU453 | -0.85 | -0.17 | -1.02 | 0.28 | -0.74 |
| 5c26 | GLY454 | -1.38 | -0.88 | -2.26 | 0.73 | -1.52 |
| 5c26 | PRO455 | -1.32 | 0.52 | -0.8 | -0.23 | -1.03 |
