Complexes after comparative docking

Receptor: model based on 5TBO 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
FMN_A_3 0.000 9.2 1 32.7 FLAVIN MONONUCLEOTIDE 5TBO Raw
78Z_A_2 0.000 4.7 0.49 100.0 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine 5TBO Raw