Complexes after comparative docking

Receptor: model based on 5M51 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
NU6_A_2 0.000 7.0 0.66 72.7 3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide 5M51 Raw