Binding information for 4lp0_ligand_1_0.mol2(FDBF00120)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lp0_ligand_1_0.mol2 | 4lp0 | 1 | -6.04 | C(C)NC(=O)N | 6 |
Structure and binding mode of 4lp0_ligand_1_0.mol2(FDBF00120)
Important binding residues for 4lp0_ligand_1_0.mol2(FDBF00120)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lp0 | ILE48 | -0.85 | -0.19 | -1.04 | 0.39 | -0.65 |
| 4lp0 | ASN51 | -1.20 | -1.76 | -2.96 | 1.44 | -1.52 |
| 4lp0 | ALA52 | -1.00 | 0.23 | -0.77 | -0.11 | -0.88 |
| 4lp0 | VAL76 | -0.76 | 0.04 | -0.72 | 0.04 | -0.69 |
| 4lp0 | GLN77 | -0.29 | 0.27 | -0.02 | -0.28 | -0.31 |
| 4lp0 | MET83 | -0.46 | -1.11 | -1.57 | 0.75 | -0.83 |
| 4lp0 | THR172 | -1.69 | 0.12 | -1.57 | 0.32 | -1.25 |
| 4lp0 | VAL174 | -0.85 | -0.12 | -0.97 | 0.15 | -0.82 |
