Complexes after comparative docking

Receptor: model based on 3PXQ 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
2AN_A_3 0.000 5.3 0.61 60.3 8-ANILINO-1-NAPHTHALENE SULFONATE 3PXQ Raw