Complexes after comparative docking

Receptor: model based on 4PVB 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
2WW_A_2 0.000 2.8 0.58 96.5 [(1S)-1-AMINO-3-METHYLBUTYL]PHOSPHONIC ACID 4PVB Raw