Complexes after comparative docking

Receptor: model based on 5LY7 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
NOK_B_6 0.000 3.6 0.73 77.5 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN 5LY7 Raw