Complexes after comparative docking

Receptor: model based on 2ZXZ 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
P26_A_3 0.000 9.3 0.75 94.0 4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-INDEN-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID 2ZXZ Raw