Complexes after comparative docking

Receptor: model based on 4QIF chain:C
& 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
PGO_C_20 0.000 3.1 0.4 100.0 S-1,2-PROPANEDIOL 4QIF Raw
TAR_D_22 Error Error nan 0.0 D(-)-TARTARIC ACID 4QIF Raw