Complexes after comparative docking
Receptor: model based on 3BQD 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 |
|
DAY_A_3 |
0.000 |
10.3 |
0.83 |
82.2 |
1-[(1R,2R,3AS,3BS,10AR,10BS,11S,12AS)-1,11-DIHYDROXY-2,5,10A,12A-TETRAMETHYL-7-PHENYL-1,2,3,3A,3B,7,10,10A,10B,11,12,12A-DODECAHYDROCYCLOPENTA[5,6]NAPHTHO[1,2-F]INDAZOL-1-YL]-2-HYDROXYETHANONE |
3BQD |
Raw |
|