Binding information for 4d2s_ligand_2_10.mol2(FDBF00571)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4d2s_ligand_2_10.mol2 | 4d2s | 1 | -6.34 | c1ccc(c(c1)OC)N | 9 |
Structure and binding mode of 4d2s_ligand_2_10.mol2(FDBF00571)
Important binding residues for 4d2s_ligand_2_10.mol2(FDBF00571)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4d2s | ILE531 | -1.74 | -0.15 | -1.89 | 0.07 | -1.82 |
| 4d2s | ILE607 | -1.62 | -0.47 | -2.09 | 0.18 | -1.91 |
| 4d2s | LEU654 | -0.58 | 0.07 | -0.51 | 0.04 | -0.47 |
