Complexes after comparative docking

Receptor: model based on 2VG2 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
DPO_A_5 0.000 3.1 0.74 65.0 DIPHOSPHATE 2VG2 Raw
IPE_A_6 0.000 2.6 0.59 9.4 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE 2VG2 Raw