Binding information for 3art_ligand_4_119.mol2(FDBF03616)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3art_ligand_4_119.mol2 | 3art | 0.446154 | -6.13 | C(CN1[C@H]2C=CC=CC2=C(C=C1C)N)CC | 16 |
Structure and binding mode of 3art_ligand_4_119.mol2(FDBF03616)
Important binding residues for 3art_ligand_4_119.mol2(FDBF03616)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3art | TRP397 | -3.71 | 0.43 | -3.28 | 1.12 | -2.17 |
