Binding information for 1rt2_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rt2_ligand_frag_0.mol2 | 1rt2 | 1 | -6.86 | c1ccccc1 | 6 |
Structure and binding mode of 1rt2_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 1rt2_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rt2 | LEU100 | -0.82 | 0.00 | -0.82 | -0.13 | -0.95 |
| 1rt2 | VAL106 | -0.30 | 0.02 | -0.28 | -0.10 | -0.38 |
| 1rt2 | TYR181 | -0.88 | -0.29 | -1.17 | 0.47 | -0.70 |
| 1rt2 | TYR188 | -1.62 | 0.41 | -1.21 | 0.63 | -0.58 |
| 1rt2 | PHE227 | -0.66 | -0.03 | -0.69 | 0.16 | -0.53 |
| 1rt2 | TRP229 | -1.19 | -0.18 | -1.37 | 0.62 | -0.75 |
| 1rt2 | LEU234 | -0.73 | -0.12 | -0.85 | -0.05 | -0.91 |
