Complexes after comparative docking

Receptor: model based on 3R8U 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
Z31_A_2 0.000 5.0 0.6 87.4 [4-AMINO-2-(PROP-2-EN-1-YLAMINO)-1,3-THIAZOL-5-YL](NAPHTHALEN-2-YL)METHANONE 3R8U Raw