Complexes after comparative docking

Receptor: model based on 3ROY 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
22Z_A_3 0.000 6.1 0.5 47.2 4-(HEXYLAMINO)-5-NITRO-2-[(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE 3ROY Raw