Binding information for 4bcm_ligand_1_3.mol2(FDBF00641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bcm_ligand_1_3.mol2 | 4bcm | 1 | -6.44 | Nc1ccc(cc1)C | 8 |
Structure and binding mode of 4bcm_ligand_1_3.mol2(FDBF00641)
Important binding residues for 4bcm_ligand_1_3.mol2(FDBF00641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bcm | ILE10 | -1.40 | -0.27 | -1.67 | 0.07 | -1.61 |
| 4bcm | GLN85 | -1.25 | -0.61 | -1.86 | 0.58 | -1.28 |
| 4bcm | LEU134 | -0.44 | 0.07 | -0.37 | -0.17 | -0.55 |
