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