Complexes after comparative docking

Receptor: model based on 4H3C 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
0YZ_A_4 0.000 4.5 0.41 17.7 (2Z)-4-[3-(DECYLOXY)PHENYL]-2-HYDROXY-4-OXOBUT-2-ENOIC ACID 4H3C Raw