Binding information for 3btc_ligand_2_8.mol2(FDBF00647)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3btc_ligand_2_8.mol2 | 3btc | 1 | -6.58 | N(C)(C)c1ccc(C)cc1 | 10 |
Structure and binding mode of 3btc_ligand_2_8.mol2(FDBF00647)
Important binding residues for 3btc_ligand_2_8.mol2(FDBF00647)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3btc | PHE162 | -1.51 | -0.26 | -1.77 | 0.94 | -0.84 |
| 3btc | TYR123 | -1.50 | -0.12 | -1.62 | 0.15 | -1.47 |
