Complexes after comparative docking

Receptor: model based on 4Y2P 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
3C5_A_3 0.000 4.9 0.42 94.0 N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine 4Y2P Raw