Complexes after comparative docking

Receptor: model based on 3VS5 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
VSG_A_3 0.000 8.3 0.56 90.5 7-(1-METHYLPIPERIDIN-4-YL)-5-(4-PHENOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE 3VS5 Raw