Complexes after comparative docking

Receptor: model based on 2FDC 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
NACID_C_1 0.000 18.2 0.61 33.3 5 -D(P*CP*GP*GP*CP*TP*CP*CP*AP*TP*CP*TP*CP*TP*AP*CP*CP*GP*CP*AP*A)-3 2FDC Raw
FLQ_C_5 0.000 4.0 0.48 100.0 N-[6-(ACETYLAMINO)HEXYL]-3 ,6 -DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9 -XANTHENE]-6-CARBOXAMIDE 2FDC Raw