Complexes after comparative docking

Receptor: model based on 3R7E 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
X88_A_3 0.000 4.6 0.71 70.6 5-NITRO-2-[(PYRAZIN-2-YLMETHYL)AMINO]BENZAMIDE 3R7E Raw