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