Complexes after comparative docking

Receptor: model based on 3CDP 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
YRG_A_3 0.000 5.3 0.71 58.6 (2S)-2-(4-CHLOROPHENOXY)-3-PHENYLPROPANOIC ACID 3CDP Raw