Complexes after comparative docking

Receptor: model based on 1UNG 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
ALH_A_5 0.000 5.1 0.54 81.3 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE 1UNG Raw