Complexes after comparative docking

Receptor: model based on 2XY7 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
NACID_C_3 0.000 12.6 0.45 6.2 5 -D(*SAYP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP)-3 2XY7 Raw