Binding information for 4cd0_ligand_2_9.mol2(FDBF00266)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cd0_ligand_2_9.mol2 | 4cd0 | 0.714286 | -6.36 | c1(cccc(c1)F)[C@@H](C)O | 10 |
Structure and binding mode of 4cd0_ligand_2_9.mol2(FDBF00266)
Important binding residues for 4cd0_ligand_2_9.mol2(FDBF00266)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cd0 | VAL1130 | -0.80 | 0.05 | -0.75 | -0.11 | -0.87 |
| 4cd0 | ALA1148 | -0.27 | -0.16 | -0.43 | 0.07 | -0.36 |
| 4cd0 | MET1196 | -0.79 | -0.04 | -0.83 | 0.14 | -0.70 |
| 4cd0 | ASN1254 | -0.70 | 0.11 | -0.59 | 0.27 | -0.32 |
| 4cd0 | LEU1256 | -1.05 | -0.12 | -1.17 | -0.03 | -1.21 |
