Binding information for 3art_ligand_1_1.mol2(FDBF07054)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3art_ligand_1_1.mol2 | 3art | 0.839286 | -5.91 | CN1c2c(C(=C[C@@H]1C)N)cccc2 | 13 |
Structure and binding mode of 3art_ligand_1_1.mol2(FDBF07054)
Important binding residues for 3art_ligand_1_1.mol2(FDBF07054)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3art | ALA322 | -1.91 | 0.07 | -1.84 | -0.04 | -1.89 |
