Complexes after comparative docking

Receptor: model based on 1L1T 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_2 0.000 6.8 0.43 40.0 5 -D(*TP*GP*C*GP*TP*CP*CP*AP*(HPD)P*GP*TP*CP*TP*AP*CP*C)-3 1L1T Raw