Complexes after comparative docking

Receptor: model based on 3X1J 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
ACO_B_13 0.000 3.8 0.33 3.7 ACETYL COENZYME *A 3X1J Raw