Complexes after comparative docking

Receptor: model based on 3QQS 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
17C_B_12 0.000 4.4 0.51 71.8 2,2 -IMINODIBENZOIC ACID 3QQS Raw
PRP_B_9 0.000 5.8 1 48.2 ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID 3QQS Raw