Complexes after comparative docking

Receptor: model based on 4RMD 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
3SW_A_3 0.000 9.9 0.74 100.0 (2E,4E,6Z,8E)-8-[3-CYCLOPROPYL-2-(3-METHYLBUTYL)CYCLOHEX-2-EN-1-YLIDENE]-3,7-DIMETHYLOCTA-2,4,6-TRIENOIC ACID 4RMD Raw