Binding information for 1sln_ligand_4_463.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sln_ligand_4_463.mol2 | 1sln | 0.754386 | -7.04 | C(=O)(Nc1ccccc1)[C@H](C)NC=O | 14 |
Structure and binding mode of 1sln_ligand_4_463.mol2(FDBF01734)
Important binding residues for 1sln_ligand_4_463.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sln | ASN162 | -0.94 | -3.31 | -4.25 | 1.90 | -2.35 |
| 1sln | VAL163 | -1.36 | -1.74 | -3.1 | 0.82 | -2.29 |
| 1sln | LEU164 | -1.96 | -3.73 | -5.69 | 1.38 | -4.30 |
| 1sln | ALA165 | -0.43 | -0.21 | -0.64 | 0.22 | -0.42 |
| 1sln | PRO221 | -0.43 | -1.33 | -1.76 | 1.35 | -0.41 |
| 1sln | LEU222 | -1.28 | -1.55 | -2.83 | 0.80 | -2.03 |
| 1sln | TYR223 | -0.48 | -2.75 | -3.23 | 1.88 | -1.35 |
