Binding information for 4np2_ligand_1_1.mol2(FDBF01113)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4np2_ligand_1_1.mol2 | 4np2 | 1 | -5.43 | Cc1[nH+]c[nH]c1C | 7 |
Structure and binding mode of 4np2_ligand_1_1.mol2(FDBF01113)
Important binding residues for 4np2_ligand_1_1.mol2(FDBF01113)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4np2 | ARG82 | -1.82 | 0.48 | -1.34 | -0.34 | -1.67 |
