Binding information for 4od0_ligand_1_2.mol2(FDBF00869)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od0_ligand_1_2.mol2 | 4od0 | 1 | -7.27 | N(C(=O)N)c1ccccc1 | 10 |
Structure and binding mode of 4od0_ligand_1_2.mol2(FDBF00869)
Important binding residues for 4od0_ligand_1_2.mol2(FDBF00869)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4od0 | PHE267 | -1.11 | -1.08 | -2.19 | 1.52 | -0.66 |
| 4od0 | TRP336 | -0.92 | -0.46 | -1.38 | 0.42 | -0.95 |
| 4od0 | LEU408 | -0.32 | 0.06 | -0.26 | -0.07 | -0.33 |
| 4od0 | MET419 | -0.67 | 0.62 | -0.05 | -0.45 | -0.50 |
| 4od0 | VAL498 | -0.61 | -0.60 | -1.21 | 0.39 | -0.82 |
| 4od0 | LEU499 | -0.45 | 0.12 | -0.33 | -0.13 | -0.46 |
| 4od0 | HIS524 | -1.01 | 2.06 | 1.05 | -1.38 | -0.33 |
