Binding information for 2y5f_ligand_2_18.mol2(FDBF00209)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y5f_ligand_2_18.mol2 | 2y5f | 1 | -6.13 | C[N+]1(C)CCCC1 | 7 |
Structure and binding mode of 2y5f_ligand_2_18.mol2(FDBF00209)
Important binding residues for 2y5f_ligand_2_18.mol2(FDBF00209)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y5f | TYR99 | -1.90 | -2.27 | -4.17 | 2.55 | -1.61 |
| 2y5f | PHE174 | -1.75 | -0.62 | -2.37 | 0.82 | -1.56 |
| 2y5f | TRP215 | -2.06 | -1.13 | -3.19 | 1.51 | -1.69 |
