Complexes after comparative docking

Receptor: model based on 1O87 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
GDP_B_12 0.000 7.1 0.89 37.5 GUANOSINE-5 -DIPHOSPHATE 1O87 Raw
FMT_B_11 0.000 3.0 0.32 0.0 FORMIC ACID 1O87 Raw