Complexes after comparative docking

Receptor: model based on 4QNE chain:B
& 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
NAJ_B_7 0.000 5.2 0.87 85.2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) 4QNE Raw