Complexes after comparative docking

Receptor: model based on 2XK6 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
EQH_A_2 0.000 4.6 0.45 90.1 CIS-4-[3-AMINO-6-(3-CYCLOPROPYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANECARBOXYLIC ACID 2XK6 Raw