Complexes after comparative docking

Receptor: model based on 1YFS 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
ALA_C_3 0.000 2.6 0.46 39.0 ALANINE 1YFS Raw