Complexes after comparative docking

Receptor: model based on 1IS0 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
CHAIN_D_4 0.000 2.6 0.41 0.8 pYEEI 1IS0 Raw
PTC_D_6 0.000 4.1 0.71 70.5 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID 1IS0 Raw