Complexes after comparative docking

Receptor: model based on 3PO4 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
DDS_A_7 0.000 6.7 0.94 61.6 2 ,3 -DIDEOXYADENOSINE TRIPHOSPHATE 3PO4 Raw
NACID_C_3 0.000 9.9 0.48 0.9 DNA (5 -D(*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3 ) 3PO4 Raw