Complexes after comparative docking

Receptor: model based on 4BL1 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
ANP_A_2 0.000 5.5 0.96 65.8 PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 4BL1 Raw