Complexes after comparative docking

Receptor: model based on 1BLS 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
IPP_A_3 0.000 4.2 0.49 67.1 (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID 1BLS Raw