Complexes after comparative docking

Receptor: model based on 4DQM 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
LUF_A_5 0.000 3.9 0.51 85.5 (5S)-4-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)DECA-3,7-DIEN-1-YL]-5-HYDROXYFURAN-2(5H)-ONE 4DQM Raw