Binding information for 2pjt_ligand_2_26.mol2(FDBF00706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pjt_ligand_2_26.mol2 | 2pjt | 0.615385 | -5.99 | CC1CCN(CC1)C(=O)OC(C)(C)C | 14 |
Structure and binding mode of 2pjt_ligand_2_26.mol2(FDBF00706)
Important binding residues for 2pjt_ligand_2_26.mol2(FDBF00706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pjt | LEU159 | -1.18 | -0.05 | -1.23 | -0.05 | -1.28 |
| 2pjt | HIS162 | -0.80 | 0.55 | -0.25 | -0.18 | -0.43 |
