Complexes after comparative docking

Receptor: model based on 4JYI 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
JYI_A_5 0.000 11.4 0.64 90.4 3-CHLORO-4-[(E)-2-(5,5-DIMETHYL-8-PHENYL-5,6-DIHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID 4JYI Raw