Complexes after comparative docking

Receptor: model based on 3PX4 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_4 0.000 13.4 0.22 18.0 DNA (5 -D(*CP*AP*TP*AP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3 ) 3PX4 Raw