Complexes after comparative docking

Receptor: model based on 4TMX 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
GTP_A_3 0.000 9.3 1 100.0 GUANOSINE-5 -TRIPHOSPHATE 4TMX Raw
EDO_A_10 0.000 2.1 0.44 12.9 1,2-ETHANEDIOL 4TMX Raw