Complexes after comparative docking Receptor: model based on 3EOV 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 |
|
EOV_A_3 |
0.000 |
6.1 |
0.61 |
66.7 |
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-1,4,7,10,12,15,19,25,28-NONAMETHYL-3,21-BIS(1-METHYLETHYL)-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTANE-2,5,8,11,14,17,20,23,26,29,32-UNDECONE |
3EOV |
Raw |
|