Complexes after comparative docking

Receptor: model based on 4FCP 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
42C_A_3 0.000 3.2 0.48 70.5 N,N-DIMETHYL-7H-PURIN-6-AMINE 4FCP Raw