Binding information for 1os0_ligand_3_161.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1os0_ligand_3_161.mol2 | 1os0 | 1 | -6.01 | C(C)(C)C(=O)N | 6 |
Structure and binding mode of 1os0_ligand_3_161.mol2(FDBF00026)
Important binding residues for 1os0_ligand_3_161.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1os0 | GLU166 | -0.26 | 3.82 | 3.56 | -5.44 | -1.88 |
| 1os0 | LEU202 | -0.46 | -0.13 | -0.59 | 0.09 | -0.51 |
| 1os0 | ARG203 | 0.61 | -11.03 | -10.42 | 7.45 | -2.97 |
