Complexes after comparative docking

Receptor: model based on 3C4J 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
AGS_B_6 0.000 3.4 0.76 100.0 PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 3C4J Raw