Binding information for 2p94_ligand_frag_5.mol2(FDBF00485)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p94_ligand_frag_5.mol2 | 2p94 | 0.773196 | -6.03 | N1=CCC=CC1=O | 7 |
Structure and binding mode of 2p94_ligand_frag_5.mol2(FDBF00485)
Important binding residues for 2p94_ligand_frag_5.mol2(FDBF00485)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p94 | TYR99 | -1.41 | -0.46 | -1.87 | 0.68 | -1.18 |
| 2p94 | PHE174 | -1.06 | 0.44 | -0.62 | -0.16 | -0.79 |
| 2p94 | TRP215 | -1.22 | -1.11 | -2.33 | 0.69 | -1.65 |
