Binding information for 2ylo_ligand_2_26.mol2(FDBF00362)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ylo_ligand_2_26.mol2 | 2ylo | 0.844444 | -6.36 | [nH+]1c2ccccc2[nH]c1SC | 11 |
Structure and binding mode of 2ylo_ligand_2_26.mol2(FDBF00362)
Important binding residues for 2ylo_ligand_2_26.mol2(FDBF00362)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ylo | PRO723 | -1.14 | 0.93 | -0.21 | -0.56 | -0.77 |
| 2ylo | GLY724 | -0.93 | -0.22 | -1.15 | 0.14 | -1.01 |
| 2ylo | LEU830 | -1.69 | 0.31 | -1.38 | -0.37 | -1.76 |
| 2ylo | TYR834 | -1.32 | -0.81 | -2.13 | 1.01 | -1.12 |
