Complexes after comparative docking

Receptor: model based on 5I60 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
67W_B_12 0.000 5.5 0.58 83.3 (2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid 5I60 Raw