Complexes after comparative docking

Receptor: model based on 1YQ4 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
3NP_A_11 0.000 2.1 0.47 71.8 3-NITROPROPANOIC ACID 1YQ4 Raw
FAD_A_6 0.000 9.9 1 79.5 FLAVIN-ADENINE DINUCLEOTIDE 1YQ4 Raw