Complexes after comparative docking

Receptor: model based on 3THV 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 16.4 0.19 0.0 5 -D(*C*AP*TP*TP*TP*GP*AP*GP*TP*CP*AP*GP*G)-3 3THV Raw