Binding information for 4ogj_ligand_1_6.mol2(FDBF00637)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ogj_ligand_1_6.mol2 | 4ogj | 1 | -6.20 | c1nc(c(cn1)C)N | 8 |
Structure and binding mode of 4ogj_ligand_1_6.mol2(FDBF00637)
Important binding residues for 4ogj_ligand_1_6.mol2(FDBF00637)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ogj | PRO82 | -1.05 | -2.37 | -3.42 | 2.42 | -1.00 |
| 4ogj | PHE83 | -0.98 | -0.10 | -1.08 | 0.20 | -0.89 |
| 4ogj | VAL87 | -0.83 | 0.08 | -0.75 | -0.19 | -0.93 |
| 4ogj | CYS136 | -0.68 | 0.64 | -0.04 | -0.56 | -0.61 |
| 4ogj | TYR139 | -0.61 | -0.39 | -1 | 0.38 | -0.63 |
| 4ogj | ASN140 | 0.04 | -3.27 | -3.23 | 1.00 | -2.23 |
| 4ogj | ILE146 | -1.38 | -0.28 | -1.66 | 0.15 | -1.51 |
