Complexes after comparative docking

Receptor: model based on 4POJ 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
2VP_A_3 0.000 8.9 0.74 100.0 (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(7-METHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOIC ACID 4POJ Raw