Binding information for 2am9_ligand.mol2(FDBF00092)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2am9_ligand.mol2 | 2am9 | 0.942857 | -10.14 | C1C[C@@H](O)C=C2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1O)C | 22 |
Structure and binding mode of 2am9_ligand.mol2(FDBF00092)
Important binding residues for 2am9_ligand.mol2(FDBF00092)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2am9 | LEU701 | -0.98 | -0.38 | -1.36 | 0.50 | -0.86 |
| 2am9 | LEU704 | -2.39 | -0.02 | -2.41 | 0.27 | -2.14 |
| 2am9 | ASN705 | -0.65 | -4.52 | -5.17 | 4.05 | -1.11 |
| 2am9 | LEU707 | -1.44 | 0.04 | -1.4 | -0.56 | -1.96 |
| 2am9 | GLY708 | -0.99 | 0.24 | -0.75 | -0.32 | -1.07 |
| 2am9 | GLN711 | -0.67 | 0.49 | -0.18 | -0.53 | -0.71 |
| 2am9 | MET742 | -1.52 | -0.23 | -1.75 | 0.80 | -0.95 |
| 2am9 | MET745 | -1.38 | -0.25 | -1.63 | 0.60 | -1.03 |
| 2am9 | VAL746 | -0.98 | 0.01 | -0.97 | -0.06 | -1.03 |
| 2am9 | MET749 | -1.06 | 0.74 | -0.32 | -0.68 | -1.01 |
| 2am9 | ARG752 | 0.08 | -3.43 | -3.35 | 2.25 | -1.10 |
| 2am9 | PHE764 | -1.88 | 0.46 | -1.42 | -0.13 | -1.56 |
| 2am9 | LEU873 | -1.49 | 0.25 | -1.24 | -0.20 | -1.45 |
| 2am9 | PHE876 | -0.76 | 0.08 | -0.68 | -0.13 | -0.82 |
| 2am9 | LEU880 | -0.41 | -1.26 | -1.67 | 0.75 | -0.92 |
| 2am9 | MET895 | -0.92 | -0.03 | -0.95 | 0.38 | -0.57 |
