Complexes after comparative docking

Receptor: model based on 3R7U 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
X96_A_3 0.000 5.0 0.51 78.5 2-{[4-(AMINOMETHYL)BENZYL]AMINO}-5-NITROBENZAMIDE 3R7U Raw