Complexes after comparative docking

Receptor: model based on 2PD4 chain:D
& 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
DCN_D_12 0.000 4.7 0.48 77.7 DICLOSAN 2PD4 Raw
NAD_D_8 0.000 7.2 1 73.8 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 2PD4 Raw