Complexes after comparative docking

Receptor: model based on 2QAB 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
EI1_A_5 0.000 6.6 0.72 88.5 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL 2QAB Raw