Complexes after comparative docking

Receptor: model based on 4JGD 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
DET_A_4 0.000 2.3 0.3 1.8 UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE 4JGD Raw
FMN_A_2 0.000 10.6 0.93 32.7 FLAVIN MONONUCLEOTIDE 4JGD Raw