Complexes after comparative docking

Receptor: model based on 4X2J 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
3WN_A_2 0.000 5.6 0.74 80.0 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one 4X2J Raw