Complexes after comparative docking

Receptor: model based on 1LXC 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_E_5 0.000 6.8 0.98 58.2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1LXC Raw