Complexes after comparative docking

Receptor: model based on 3GQ4 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 8.0 0.38 72.7 DNA (5 -D(*TP*GP*CP*GP*TP*CP*CP*GP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3 ) 3GQ4 Raw