Complexes after comparative docking

Receptor: model based on 3SAS 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 2.9 0.4 80.0 5 -D(*T*GP*CP*GP*TP*CP*CP*GP*AP*GP*(TX2) P*CP*TP*AP*CP*C)-3 3SAS Raw