Complexes after comparative docking

Receptor: model based on 4WS8 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
TUL_A_2 0.000 3.1 0.57 65.2 2-thioxo-2,3-dihydropyrimidin-4(1H)-one 4WS8 Raw