Binding information for 3btl_ligand_1_4.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3btl_ligand_1_4.mol2 | 3btl | 1 | -6.40 | N(C)(C)c1ccccc1 | 9 |
Structure and binding mode of 3btl_ligand_1_4.mol2(FDBF00049)
Important binding residues for 3btl_ligand_1_4.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3btl | PHE162 | -1.15 | -0.16 | -1.31 | 0.80 | -0.50 |
| 3btl | TYR123 | -0.90 | -0.09 | -0.99 | 0.06 | -0.93 |
