Binding information for 2cej_ligand_1_8.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cej_ligand_1_8.mol2 | 2cej | 1 | -6.44 | CC(C)(C)C | 5 |
Structure and binding mode of 2cej_ligand_1_8.mol2(FDBF00012)
Important binding residues for 2cej_ligand_1_8.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2cej | ILE47 | -0.94 | 0.01 | -0.93 | -0.03 | -0.96 |
| 2cej | ILE84 | -0.71 | 0.00 | -0.71 | -0.03 | -0.73 |
