Complexes after comparative docking

Receptor: model based on 3RDC 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
EA4_A_2 0.000 4.6 0.72 100.0 ETHYL N-[(4-AMINOBENZYL)CARBAMOYL]GLYCINATE 3RDC Raw