Binding information for 4feq_ligand_1_7.mol2(FDBF00008)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4feq_ligand_1_7.mol2 | 4feq | 0.403226 | -5.04 | CN1C(=O)CC=C1 | 7 |
Structure and binding mode of 4feq_ligand_1_7.mol2(FDBF00008)
Important binding residues for 4feq_ligand_1_7.mol2(FDBF00008)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4feq | GLY599 | -0.40 | 0.04 | -0.36 | -0.07 | -0.43 |
