Binding information for 2p1c_ligand_3_83.mol2(FDBF00193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p1c_ligand_3_83.mol2 | 2p1c | 1 | -7.52 | CCCc1ccccc1 | 9 |
Structure and binding mode of 2p1c_ligand_3_83.mol2(FDBF00193)
Important binding residues for 2p1c_ligand_3_83.mol2(FDBF00193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p1c | TYR99 | -2.03 | -0.69 | -2.72 | 0.97 | -1.75 |
| 2p1c | GLU102 | -0.40 | -0.03 | -0.43 | 0.11 | -0.32 |
| 2p1c | ASP103 | -0.79 | -0.25 | -1.04 | 0.25 | -0.78 |
| 2p1c | ALA169 | -0.45 | 0.12 | -0.33 | -0.10 | -0.43 |
