Complexes after comparative docking

Receptor: model based on 3R8Z 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
Z63_A_2 0.000 4.0 0.59 87.4 [4-AMINO-2-(PROP-2-EN-1-YLAMINO)-1,3-THIAZOL-5-YL](PYRIDIN-4-YL)METHANONE 3R8Z Raw