Complexes after comparative docking

Receptor: model based on 2O4R 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
VD5_A_3 0.000 11.2 0.73 99.8 (1R,3R,7E,17E)-17-(5-HYDROXY-1,5-DIMETHYLHEXYLIDENE)-2-METHYLENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL 2O4R Raw