Complexes after comparative docking

Receptor: model based on 5GY7 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_4 0.000 13.1 1 100.0 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 5GY7 Raw