Complexes after comparative docking

Receptor: model based on 4OC7 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
2QO_A_3 0.000 7.6 0.78 80.2 (2E)-3-[6-HYDROXY-3 -(PROP-2-EN-1-YL)BIPHENYL-3-YL]PROP-2-ENOIC ACID 4OC7 Raw