Complexes after comparative docking

Receptor: model based on 4X2G 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
TRS_A_4 0.000 3.7 0.62 15.9 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 4X2G Raw
3WK_A_2 0.000 4.1 0.66 43.6 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one 4X2G Raw