Complexes after comparative docking

Receptor: model based on 3G9X 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
IPA_A_2 0.000 3.8 0.23 24.1 ISOPROPYL ALCOHOL 3G9X Raw