Complexes after comparative docking

Receptor: model based on 1A09 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 5.3 0.69 7.5 ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE) 1A09 Raw