Binding information for 3cj5_ligand_1_0.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cj5_ligand_1_0.mol2 | 3cj5 | 0.851852 | -5.13 | CC(=O)N1CCOCC1 | 9 |
Structure and binding mode of 3cj5_ligand_1_0.mol2(FDBF01215)
Important binding residues for 3cj5_ligand_1_0.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cj5 | HIS475 | -2.11 | -0.90 | -3.01 | 1.91 | -1.11 |
