Complexes after comparative docking

Receptor: model based on 3ENK 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
NAD_A_3 0.000 13.1 1 84.6 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 3ENK Raw
GUD_A_4 0.000 7.4 1 83.3 GLUCOSE-URIDINE-C1,5 -DIPHOSPHATE 3ENK Raw