Complexes after comparative docking

Receptor: model based on 3TIY 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
TIY_A_14 0.000 3.8 0.65 29.0 2,3,4,6-TETRAHYDROXY-5H-BENZO[7]ANNULEN-5-ONE 3TIY Raw