Complexes after comparative docking

Receptor: model based on 1YC2 chain:C
& 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_C_26 0.000 10.5 0.89 72.6 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1YC2 Raw