Complexes after comparative docking

Receptor: model based on 3D04 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
SAK_A_15 0.000 3.4 0.46 72.9 (2S)-5-HYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE 3D04 Raw