Binding information for 1cqp_ligand.mol2(FDBF00148)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cqp_ligand.mol2 | 1cqp | 0.839506 | -8.31 | [C@@H]1(C[C@@H](C)C=C2C=C[C@H](C)[C@@H]([C@@H]12)CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC | 30 |
Structure and binding mode of 1cqp_ligand.mol2(FDBF00148)
Important binding residues for 1cqp_ligand.mol2(FDBF00148)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cqp | LEU132 | -0.86 | -0.06 | -0.92 | 0.07 | -0.85 |
| 1cqp | ILE235 | -0.90 | -0.03 | -0.93 | -0.12 | -1.04 |
| 1cqp | LEU298 | -1.32 | -0.27 | -1.59 | 0.39 | -1.20 |
| 1cqp | LEU302 | -3.24 | -0.16 | -3.4 | 0.09 | -3.31 |
