Complexes after comparative docking

Receptor: model based on 2D1C 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
NAP_D_4 0.000 8.2 1 25.4 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 2D1C Raw
CIT_F_6 0.000 4.2 0.65 100.0 CITRIC ACID 2D1C Raw