Complexes after comparative docking

Receptor: model based on 1NHS 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
CYO_C_3 0.000 2.0 0.51 100.0 OXYGENS BOUND TO CYS SG 1NHS Raw