Complexes after comparative docking

Receptor: model based on 2JAS chain:C
& 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
DTP_C_12 0.000 8.6 1 87.1 2 -DEOXYADENOSINE 5 -TRIPHOSPHATE 2JAS Raw