Complexes after comparative docking

Receptor: model based on 4JWP 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_A_3 0.000 9.3 0.81 92.7 ACETYL COENZYME *A 4JWP Raw