Complexes after comparative docking

Receptor: model based on 4E9A 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
QAP_A_3 0.000 3.2 0.44 48.8 2-PHENYLETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE 4E9A Raw