Complexes after comparative docking

Receptor: model based on 3BAB 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
3BD_A_7 0.000 8.2 0.68 98.6 7-AMINO-2-TERT-BUTYL-4-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE 3BAB Raw