Binding information for 2xln_ligand_2_3.mol2(FDBF00859)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xln_ligand_2_3.mol2 | 2xln | 1 | -5.95 | O(C)c1c(C(=O)N)cccc1 | 11 |
Structure and binding mode of 2xln_ligand_2_3.mol2(FDBF00859)
Important binding residues for 2xln_ligand_2_3.mol2(FDBF00859)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xln | TYR147 | -1.27 | -0.50 | -1.77 | 0.46 | -1.30 |
| 2xln | THR413 | -1.49 | -0.46 | -1.95 | 0.84 | -1.11 |
