Binding information for 3art_ligand_2_10.mol2(FDBF07053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3art_ligand_2_10.mol2 | 3art | 0.76 | -6.02 | C(C)N1c2c(C(=C[C@@H]1C)N)cccc2 | 14 |
Structure and binding mode of 3art_ligand_2_10.mol2(FDBF07053)
Important binding residues for 3art_ligand_2_10.mol2(FDBF07053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3art | ALA322 | -1.99 | 0.06 | -1.93 | -0.01 | -1.94 |
