Complexes after comparative docking

Receptor: model based on 2P7Q chain:E
& 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
GG6_E_18 0.000 4.1 0.48 89.1 [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID 2P7Q Raw