Complexes after comparative docking

Receptor: model based on 3PA9 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
PJ7_A_2 0.000 2.1 0.43 96.8 4-AMINOFURAN-2-CARBOXYLIC ACID 3PA9 Raw
PMP_A_3 0.000 7.8 0.82 41.6 4 -DEOXY-4 -AMINOPYRIDOXAL-5 -PHOSPHATE 3PA9 Raw