Binding information for 2p1c_ligand_1_8.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p1c_ligand_1_8.mol2 | 2p1c | 1 | -7.11 | Cc1ccccc1 | 7 |
Structure and binding mode of 2p1c_ligand_1_8.mol2(FDBF00023)
Important binding residues for 2p1c_ligand_1_8.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p1c | TYR99 | -2.51 | -0.66 | -3.17 | 0.91 | -2.26 |
| 2p1c | GLU102 | -0.38 | 0.02 | -0.36 | 0.05 | -0.32 |
| 2p1c | ASP103 | -0.48 | -0.16 | -0.64 | 0.12 | -0.52 |
| 2p1c | ALA169 | -0.41 | 0.11 | -0.3 | -0.09 | -0.39 |
