Complexes after comparative docking

Receptor: model based on 4DBC chain:A
& 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
3QP_A_7 0.000 10.1 0.83 100.0 (E)-N-{2-HYDROXY-3-METHYL-6-[(PHOSPHONOOXY)METHYL]BENZYLIDENE}-L-ASPARTIC ACID 4DBC Raw