Complexes after comparative docking

Receptor: model based on 3IU9 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
T07_A_4 0.000 3.0 0.54 36.1 5-[(2,4-DICHLOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-AMINE 3IU9 Raw