Complexes after comparative docking

Receptor: model based on 3H2N 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
B62_A_3 0.000 4.6 0.61 84.5 (6R)-2-AMINO-6-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-4(3H)-ONE 3H2N Raw