Complexes after comparative docking

Receptor: model based on 2XB9 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
CIT_C_6 0.000 4.9 0.9 80.0 CITRIC ACID 2XB9 Raw