Binding information for 1h36_ligand_3_46.mol2(FDBF05813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1h36_ligand_3_46.mol2 | 1h36 | 0.666667 | -5.76 | OC/C=C/C | 5 |
Structure and binding mode of 1h36_ligand_3_46.mol2(FDBF05813)
Important binding residues for 1h36_ligand_3_46.mol2(FDBF05813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1h36 | PHE365 | -0.77 | 0.00 | -0.77 | 0.22 | -0.54 |
| 1h36 | TRP489 | -1.43 | 0.03 | -1.4 | 0.62 | -0.77 |
