Binding information for 3btc_ligand_1_4.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3btc_ligand_1_4.mol2 | 3btc | 1 | -6.42 | N(C)(C)c1ccccc1 | 9 |
Structure and binding mode of 3btc_ligand_1_4.mol2(FDBF00049)
Important binding residues for 3btc_ligand_1_4.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3btc | PHE162 | -1.44 | -0.27 | -1.71 | 0.92 | -0.79 |
| 3btc | TYR123 | -1.43 | -0.13 | -1.56 | 0.13 | -1.43 |
