Complexes after comparative docking

Receptor: model based on 2VTR 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
LZB_A_2 0.000 5.3 0.5 55.5 5-CHLORO-7-[(1-METHYLETHYL)AMINO]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE 2VTR Raw