Complexes after comparative docking

Receptor: model based on 3K14 chain:B
& 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
535_B_9 0.000 3.1 0.39 47.8 ETHYL 3-METHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXYLATE 3K14 Raw