Complexes after comparative docking

Receptor: model based on 3TAP 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_B_2 0.000 8.2 0.17 0.6 5 -D(*G*CP*GP*AP*TP*CP*AP*CP*GP*CP*AP*C)-3 3TAP Raw