Complexes after comparative docking

Receptor: model based on 3VS0 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
VS0_A_5 0.000 9.1 0.63 76.0 N-[4-(4-AMINO-7-CYCLOPENTYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)PHENYL]BENZAMIDE 3VS0 Raw