Complexes after comparative docking

Receptor: model based on 3SH7 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
BB0_B_4 0.000 4.6 0.39 7.7 1-[6-(DIMETHYLAMINO)NAPHTHALEN-2-YL]ETHANONE 3SH7 Raw