Complexes after comparative docking

Receptor: model based on 4D9U 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
0JH_A_2 0.000 7.0 0.54 73.4 TERT-BUTYL (2S)-3-[4-AMINO-7-(3-HYDROXYPROPYL)-5-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-6-YL]-2-CYANOPROPANOATE 4D9U Raw