Complexes after comparative docking

Receptor: model based on 4D46 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
NAD_B_5 0.000 7.9 1 81.5 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 4D46 Raw
J47_B_6 0.000 5.3 0.49 62.1 5-BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)BENZONITRILE 4D46 Raw