Binding information for 3cr5_ligand_2_26.mol2(FDBF01715)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cr5_ligand_2_26.mol2 | 3cr5 | 1 | -6.56 | O(C)c1ccc(cc1)C(=N)N | 11 |
Structure and binding mode of 3cr5_ligand_2_26.mol2(FDBF01715)
Important binding residues for 3cr5_ligand_2_26.mol2(FDBF01715)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cr5 | PHE43 | -0.75 | -0.23 | -0.98 | 0.26 | -0.72 |
| 3cr5 | PHE88 | -2.44 | -0.08 | -2.52 | 0.64 | -1.88 |
