Binding information for 1olu_ligand_1_0.mol2(FDBF00637)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1olu_ligand_1_0.mol2 | 1olu | 0.820513 | -6.88 | Cc1c(nc(nc1)C)N | 9 |
Structure and binding mode of 1olu_ligand_1_0.mol2(FDBF00637)
Important binding residues for 1olu_ligand_1_0.mol2(FDBF00637)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1olu | SER162 | -0.19 | -2.49 | -2.68 | 1.55 | -1.14 |
| 1olu | PRO163 | -1.04 | -1.01 | -2.05 | 0.62 | -1.43 |
| 1olu | LEU164 | -2.06 | -1.72 | -3.78 | 1.04 | -2.74 |
