Binding information for 4ciy_ligand_2_0.mol2(FDBF04961)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ciy_ligand_2_0.mol2 | 4ciy | 0.884615 | -6.63 | C(c1ccccc1)CO | 9 |
Structure and binding mode of 4ciy_ligand_2_0.mol2(FDBF04961)
Important binding residues for 4ciy_ligand_2_0.mol2(FDBF04961)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ciy | ASN12 | -1.76 | -0.38 | -2.14 | 0.75 | -1.39 |
| 4ciy | LEU13 | -1.18 | -0.14 | -1.32 | 0.31 | -1.01 |
| 4ciy | LEU16 | -0.60 | -0.05 | -0.65 | 0.06 | -0.59 |
| 4ciy | GLY77 | -0.47 | -0.76 | -1.23 | 0.37 | -0.87 |
