Complexes after comparative docking Receptor: model based on 3A2J 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 |
|
TEJ_A_2 |
0.000 |
10.5 |
0.72 |
84.0 |
(1S,3R,5Z,7E,20S,23S)-1,3-DIHYDROXY-23,26-EPOXY-9,10-SECOCHOLESTA-5,7,10,25(27)-TETRAEN-26-ONE |
3A2J |
Raw |
|