Complexes after comparative docking

Receptor: model based on 4RMC 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
3SV_A_3 0.000 8.2 0.77 100.0 (3S,7S,8E)-8-[3-ETHYL-2-(3-METHYLBUTYL)CYCLOHEX-2-EN-1-YLIDENE]-3,7-DIMETHYLOCTANOIC ACID 4RMC Raw