Binding information for 2ylq_ligand_2_18.mol2(FDBF00362)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ylq_ligand_2_18.mol2 | 2ylq | 0.844444 | -6.21 | CSc1[nH+]c2c([nH]1)cccc2 | 11 |
Structure and binding mode of 2ylq_ligand_2_18.mol2(FDBF00362)
Important binding residues for 2ylq_ligand_2_18.mol2(FDBF00362)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ylq | PHE673 | -0.70 | 0.12 | -0.58 | 0.19 | -0.38 |
| 2ylq | PRO723 | -0.89 | 0.27 | -0.62 | -0.08 | -0.70 |
| 2ylq | GLY724 | -0.62 | -0.37 | -0.99 | 0.41 | -0.57 |
| 2ylq | LEU830 | -0.88 | 0.36 | -0.52 | -0.24 | -0.76 |
| 2ylq | ASN833 | -2.21 | -1.66 | -3.87 | 2.66 | -1.22 |
| 2ylq | TYR834 | -0.83 | -0.76 | -1.59 | 0.91 | -0.67 |
