Binding information for 1elc_ligand_1_10.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elc_ligand_1_10.mol2 | 1elc | 1 | -5.30 | C(F)(F)(F)C(=O)N | 7 |
Structure and binding mode of 1elc_ligand_1_10.mol2(FDBF00844)
Important binding residues for 1elc_ligand_1_10.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elc | GLN200 | -0.71 | -0.75 | -1.46 | 1.10 | -0.35 |
| 1elc | SER203 | -0.38 | -0.28 | -0.66 | -0.30 | -0.97 |
