Complexes after comparative docking

Receptor: model based on 3RTV 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 18.3 0.66 1.1 (5 -D(*AP*AP*AP*GP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3 ) 3RTV Raw
DCP_A_4 0.000 6.5 1 100.0 2 -DEOXYCYTIDINE-5 -TRIPHOSPHATE 3RTV Raw