Binding information for 3ipb_ligand_6_7904.mol2(FDBF00021)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ipb_ligand_6_7904.mol2 | 3ipb | 1 | -5.34 | OCCC/C=C/C | 7 |
Structure and binding mode of 3ipb_ligand_6_7904.mol2(FDBF00021)
Important binding residues for 3ipb_ligand_6_7904.mol2(FDBF00021)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ipb | LEU110 | -0.24 | 0.15 | -0.09 | -0.25 | -0.33 |
