Binding information for 1d3p_ligand_3_81.mol2(FDBF01190)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d3p_ligand_3_81.mol2 | 1d3p | 0.862745 | -5.60 | C(C)Oc1ncccc1 | 9 |
Structure and binding mode of 1d3p_ligand_3_81.mol2(FDBF01190)
Important binding residues for 1d3p_ligand_3_81.mol2(FDBF01190)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d3p | TRP86 | -1.63 | -0.39 | -2.02 | 0.56 | -1.46 |
| 1d3p | GLU238 | -2.04 | 3.54 | 1.5 | -1.90 | -0.40 |
