Binding information for 3chs_ligand_2_27.mol2(FDBF07241)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_2_27.mol2 | 3chs | 0.821429 | -7.46 | c1(ccccc1)[C@H](O)C | 9 |
Structure and binding mode of 3chs_ligand_2_27.mol2(FDBF07241)
Important binding residues for 3chs_ligand_2_27.mol2(FDBF07241)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chs | PHE314 | -1.48 | -0.18 | -1.66 | -0.02 | -1.67 |
| 3chs | VAL367 | -0.84 | -0.10 | -0.94 | 0.14 | -0.80 |
| 3chs | LEU369 | -0.91 | -0.27 | -1.18 | 0.45 | -0.73 |
| 3chs | VAL376 | -0.10 | -0.06 | -0.16 | -0.18 | -0.34 |
| 3chs | ALA377 | -0.76 | -1.11 | -1.87 | 0.16 | -1.71 |
| 3chs | TYR378 | -1.25 | 0.22 | -1.03 | 0.27 | -0.76 |
| 3chs | VAL381 | -0.19 | -0.00 | -0.19 | -0.24 | -0.43 |
| 3chs | PRO382 | -1.06 | -0.26 | -1.32 | 0.21 | -1.11 |
