Complexes after comparative docking

Receptor: model based on 1IS0 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
PTC_C_5 0.000 4.7 0.72 77.0 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID 1IS0 Raw
CHAIN_C_2 0.000 2.5 0.47 2.5 pYEEI 1IS0 Raw