Complexes after comparative docking Receptor: model based on 3OZJ chain:A & Ligands found in homologous templates Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] -
Values:
Score for Scwrl (Unconserved side chains of binding site are recalculated) model :
|
Result |
RMS (ca) |
pKd Avg. |
Q |
PSim |
Ligand Name : |
Origin |
Transfer |
|
BGV_A_5 |
0.000 |
4.0 |
0.57 |
44.0 |
(3AR,4S,4AR,7AR,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENE-2,5-DIOXO-2,3,3A,4,4A,5,7A,8,9,9A-DECAHYDROAZULENO[6,5-B]FURAN-4-YL ACETATE |
3OZJ |
Raw |
|