Binding information for 1dmp_ligand_1_1.mol2(FDBF00373)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dmp_ligand_1_1.mol2 | 1dmp | 1 | -6.62 | Cc1cc(ccc1)N | 8 |
Structure and binding mode of 1dmp_ligand_1_1.mol2(FDBF00373)
Important binding residues for 1dmp_ligand_1_1.mol2(FDBF00373)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dmp | ILE50 | -0.70 | -0.11 | -0.81 | 0.13 | -0.67 |
| 1dmp | ALA28 | -0.82 | -0.87 | -1.69 | 0.10 | -1.59 |
| 1dmp | VAL32 | -0.65 | -0.07 | -0.72 | -0.00 | -0.72 |
| 1dmp | ILE47 | -0.88 | -0.10 | -0.98 | 0.22 | -0.76 |
