Complexes after comparative docking

Receptor: model based on 1RJ9 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
GCP_B_6 0.000 9.4 1 62.5 PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 1RJ9 Raw