Binding information for 1o1s_ligand_3_244.mol2(FDBF01388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o1s_ligand_3_244.mol2 | 1o1s | 1 | -6.44 | COCc1ccccc1 | 9 |
Structure and binding mode of 1o1s_ligand_3_244.mol2(FDBF01388)
Important binding residues for 1o1s_ligand_3_244.mol2(FDBF01388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o1s | ARG202 | -2.16 | -1.27 | -3.43 | 1.44 | -1.99 |
| 1o1s | CYS254 | -0.46 | -0.31 | -0.77 | 0.42 | -0.34 |
