Complexes after comparative docking

Receptor: model based on 3PBA 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
ZXG_A_3 0.000 7.7 0.83 53.5 2,6-DIBROMO-4-[2-(3,5-DIBROMO-4-HYDROXYPHENYL)PROPAN-2-YL]PHENYL HYDROGEN SULFATE 3PBA Raw