Binding information for 2h96_ligand_3_15.mol2(FDBF03586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h96_ligand_3_15.mol2 | 2h96 | 0.867925 | -6.22 | N(C=O)Cc1cccc(c1)OC | 12 |
Structure and binding mode of 2h96_ligand_3_15.mol2(FDBF03586)
Important binding residues for 2h96_ligand_3_15.mol2(FDBF03586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h96 | ILE32 | -1.86 | -0.10 | -1.96 | -0.06 | -2.03 |
| 2h96 | ALA42 | -0.38 | 0.10 | -0.28 | -0.07 | -0.35 |
| 2h96 | LEU110 | -1.33 | -1.95 | -3.28 | 0.42 | -2.87 |
| 2h96 | MET111 | -0.34 | -2.97 | -3.31 | 1.73 | -1.58 |
| 2h96 | ALA113 | -1.29 | -0.06 | -1.35 | 0.29 | -1.07 |
| 2h96 | ASN114 | -0.47 | -0.02 | -0.49 | 0.07 | -0.42 |
| 2h96 | VAL158 | -0.68 | -0.06 | -0.74 | -0.08 | -0.82 |
