Binding information for 1dmp_ligand_1_5.mol2(FDBF00373)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dmp_ligand_1_5.mol2 | 1dmp | 1 | -6.61 | c1(cccc(c1)N)C | 8 |
Structure and binding mode of 1dmp_ligand_1_5.mol2(FDBF00373)
Important binding residues for 1dmp_ligand_1_5.mol2(FDBF00373)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dmp | ALA28 | -1.03 | -0.92 | -1.95 | 0.25 | -1.70 |
| 1dmp | VAL32 | -0.38 | -0.03 | -0.41 | 0.03 | -0.37 |
| 1dmp | ILE47 | -0.94 | 0.04 | -0.9 | -0.18 | -1.08 |
| 1dmp | ILE84 | -0.57 | -0.06 | -0.63 | 0.02 | -0.61 |
| 1dmp | ILE50 | -0.96 | -0.14 | -1.1 | 0.13 | -0.98 |
