Complexes after comparative docking

Receptor: model based on 3ENK 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
NAD_B_5 0.000 13.0 1 84.6 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 3ENK Raw
GUD_B_6 0.000 6.1 1 100.0 GLUCOSE-URIDINE-C1,5 -DIPHOSPHATE 3ENK Raw