Binding information for 2r2m_ligand_2_43.mol2(FDBF07621)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r2m_ligand_2_43.mol2 | 2r2m | 0.568182 | -6.52 | c1cc(ccc1)C(F)(F)C | 10 |
Structure and binding mode of 2r2m_ligand_2_43.mol2(FDBF07621)
Important binding residues for 2r2m_ligand_2_43.mol2(FDBF07621)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r2m | ASN131 | -0.78 | -0.19 | -0.97 | 0.27 | -0.70 |
| 2r2m | LEU132 | -0.94 | 0.01 | -0.93 | -0.05 | -0.97 |
| 2r2m | ILE209 | -1.38 | -0.16 | -1.54 | -0.02 | -1.56 |
| 2r2m | TRP257 | -1.26 | -0.15 | -1.41 | 0.62 | -0.79 |
