Complexes after comparative docking

Receptor: model based on 1UXI 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
FUM_A_4 0.000 3.6 0.66 100.0 FUMARIC ACID 1UXI Raw
NAD_A_3 0.000 10.3 0.78 60.0 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1UXI Raw