Complexes after comparative docking

Receptor: model based on 2YIT 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
YIT_A_2 0.000 8.1 0.67 76.6 N-{4-[(1E)-N-CARBAMIMIDOYLBUTANEHYDRAZONOYL]PHENYL}-5-METHOXY-1H-INDOLE-2-CARBOXAMIDE 2YIT Raw