Complexes after comparative docking

Receptor: model based on 3PCU 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
LX8_A_3 0.000 4.7 0.6 57.6 2-[(2S)-6-(2-METHYLBUT-3-EN-2-YL)-7-OXO-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-2-YL]PROPAN-2-YL ACETATE 3PCU Raw