Complexes after comparative docking

Receptor: model based on 2D7D 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_D_1 0.000 8.8 0.61 0.0 5 -D(P*TP*TP*T)-3 2D7D Raw