Complexes after comparative docking

Receptor: model based on 4K4J 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
1O8_A_3 0.000 8.4 0.76 95.4 (2E,4E,6Z,8E)-8-(3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)-3,7-DIMETHYLOCTA-2,4,6-TRIENOIC ACID 4K4J Raw