Complexes after comparative docking

Receptor: model based on 4DO3 chain:B
& 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
OHO_B_6 0.000 3.9 0.26 89.6 CYCLOHEXANE AMINOCARBOXYLIC ACID 4DO3 Raw