Binding information for 1cx9_ligand_frag_0.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cx9_ligand_frag_0.mol2 | 1cx9 | 1 | -6.72 | c1cc(ccc1)N | 7 |
Structure and binding mode of 1cx9_ligand_frag_0.mol2(FDBF00046)
Important binding residues for 1cx9_ligand_frag_0.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cx9 | PHE22 | -0.51 | -0.35 | -0.86 | 0.32 | -0.55 |
| 1cx9 | ALA59 | -0.59 | 0.31 | -0.28 | -0.11 | -0.39 |
| 1cx9 | LEU100 | -1.26 | -0.25 | -1.51 | -0.28 | -1.80 |
| 1cx9 | LEU127 | -0.38 | -0.33 | -0.71 | 0.39 | -0.32 |
| 1cx9 | ALA129 | -0.47 | -0.14 | -0.61 | 0.12 | -0.49 |
| 1cx9 | VAL182 | -0.07 | -0.01 | -0.08 | -0.23 | -0.31 |
| 1cx9 | THR183 | -0.44 | -0.20 | -0.64 | 0.02 | -0.62 |
| 1cx9 | PHE212 | -0.92 | -0.42 | -1.34 | 0.56 | -0.78 |
