Complexes after comparative docking

Receptor: model based on 1JPN 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
GNP_A_6 0.000 7.5 1 37.5 PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 1JPN Raw
ACY_A_9 0.000 3.2 0.3 4.2 ACETIC ACID 1JPN Raw