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