Binding information for 2idk_ligand_1_2.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2idk_ligand_1_2.mol2 | 2idk | 1 | -6.44 | Nc1ccccc1 | 7 |
Structure and binding mode of 2idk_ligand_1_2.mol2(FDBF00046)
Important binding residues for 2idk_ligand_1_2.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2idk | TYR5 | -1.13 | -0.34 | -1.47 | 0.73 | -0.74 |
| 2idk | ARG6 | -0.46 | -0.07 | -0.53 | 0.11 | -0.42 |
| 2idk | LEU207 | -0.41 | 0.03 | -0.38 | -0.02 | -0.40 |
| 2idk | TYR5 | -1.43 | 0.11 | -1.32 | 0.16 | -1.17 |
| 2idk | LEU207 | -0.85 | -0.06 | -0.91 | -0.07 | -0.97 |
