Complexes after comparative docking

Receptor: model based on 3R71 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
X86_A_3 0.000 5.3 0.66 50.6 4-[(3-METHOXYPROPYL)AMINO]-5-NITRO-2-[(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE 3R71 Raw