Complexes after comparative docking

Receptor: model based on 3HD1 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
APC_A_4 0.000 5.3 1 20.8 DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER 3HD1 Raw