Complexes after comparative docking

Receptor: model based on 5ER1 chain:E
& 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
0HT_E_2 0.000 6.2 0.73 58.1 METHYL N-[(2S,3S)-3-AMINO-2-HYDROXY-5-METHYLHEXYL]-L-VALYL-L-ISOLEUCYL-L-PHENYLALANINATE 5ER1 Raw