Binding information for 2cen_ligand_1_9.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cen_ligand_1_9.mol2 | 2cen | 1 | -6.43 | CC(C)(C)C | 5 |
Structure and binding mode of 2cen_ligand_1_9.mol2(FDBF00012)
Important binding residues for 2cen_ligand_1_9.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2cen | ILE47 | -0.90 | 0.01 | -0.89 | -0.02 | -0.91 |
| 2cen | ILE84 | -0.67 | 0.00 | -0.67 | -0.03 | -0.69 |
