Complexes after comparative docking

Receptor: model based on 1A1B 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
CHAIN_D_4 0.000 5.9 0.71 6.6 ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) 1A1B Raw