Complexes after comparative docking

Receptor: model based on 4IRD chain:F
& 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_G_1 0.000 4.8 0.12 0.6 DNA (5 -D(*TP*CP*TP*TP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3 ) 4IRD Raw
DZ4_F_7 0.000 4.5 0.81 93.7 2 -DEOXY-5 -O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE 4IRD Raw