Complexes after comparative docking

Receptor: model based on 2P9A 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
YE6_A_5 0.000 3.5 0.45 35.4 5-(2-CHLOROPHENYL)FURAN-2-CARBOHYDRAZIDE 2P9A Raw