Binding information for 1t49_ligand_frag_0.mol2(FDBF07579)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1t49_ligand_frag_0.mol2 | 1t49 | 0.875 | -6.45 | Brc1c(c(Br)ccc1)O | 9 |
Structure and binding mode of 1t49_ligand_frag_0.mol2(FDBF07579)
Important binding residues for 1t49_ligand_frag_0.mol2(FDBF07579)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1t49 | PHE196 | -2.53 | -0.05 | -2.58 | 0.06 | -2.51 |
| 1t49 | PHE280 | -0.95 | -0.44 | -1.39 | 0.43 | -0.96 |
