Binding information for 2exc_ligand_1_5.mol2(FDBF00747)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2exc_ligand_1_5.mol2 | 2exc | 0.653846 | -5.81 | C1CCC(CC1)OC | 8 |
Structure and binding mode of 2exc_ligand_1_5.mol2(FDBF00747)
Important binding residues for 2exc_ligand_1_5.mol2(FDBF00747)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2exc | ILE70 | -1.50 | -0.12 | -1.62 | 0.00 | -1.61 |
| 2exc | LEU148 | -0.61 | -0.05 | -0.66 | -0.03 | -0.69 |
| 2exc | ALA151 | -0.57 | 0.04 | -0.53 | 0.16 | -0.37 |
| 2exc | ASN152 | -0.44 | -0.03 | -0.47 | 0.11 | -0.36 |
