Complexes after comparative docking

Receptor: model based on 3RCK chain:X
& 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
1FP_X_3 0.000 2.2 0.55 66.7 PIPERAZINE-1-CARBALDEHYDE 3RCK Raw
1FP_X_5 0.000 2.4 0.33 2.6 PIPERAZINE-1-CARBALDEHYDE 3RCK Raw