Binding information for 2srt_ligand_4_463.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2srt_ligand_4_463.mol2 | 2srt | 0.754386 | -6.48 | C[C@H](NC=O)C(=O)Nc1ccccc1 | 14 |
Structure and binding mode of 2srt_ligand_4_463.mol2(FDBF01734)
Important binding residues for 2srt_ligand_4_463.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2srt | ASN162 | -1.26 | -1.97 | -3.23 | 1.68 | -1.55 |
| 2srt | VAL163 | -1.36 | -1.68 | -3.04 | 0.50 | -2.54 |
| 2srt | LEU164 | -1.41 | -3.64 | -5.05 | 1.51 | -3.53 |
| 2srt | ALA165 | -0.41 | -0.48 | -0.89 | 0.46 | -0.43 |
| 2srt | LEU222 | -0.63 | -1.01 | -1.64 | 0.70 | -0.94 |
| 2srt | TYR223 | -0.95 | -0.77 | -1.72 | 0.88 | -0.84 |
