Binding information for 1h37_ligand_3_88.mol2(FDBF07467)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h37_ligand_3_88.mol2 | 1h37 | 0.6 | -6.03 | C[C@@H]1[C@H](C1)CO | 6 |
Structure and binding mode of 1h37_ligand_3_88.mol2(FDBF07467)
Important binding residues for 1h37_ligand_3_88.mol2(FDBF07467)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h37 | ILE261 | -0.26 | -0.02 | -0.28 | -0.08 | -0.36 |
| 1h37 | PHE365 | -0.95 | -0.14 | -1.09 | 0.78 | -0.31 |
| 1h37 | TRP489 | -1.10 | 0.02 | -1.08 | 0.45 | -0.63 |
| 1h37 | LEU607 | -0.41 | 0.18 | -0.23 | -0.14 | -0.37 |
