Complexes after comparative docking

Receptor: model based on 2YCF 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
YCF_A_2 0.000 8.3 0.87 74.5 (2E)-N-HYDROXY-2-[1-(4-{[(4-{(1E)-1-[2-(N -HYDROXYCARBAMIMIDOYL)HYDRAZINYLIDENE]ETHYL}PHENYL)CARBAMOYL]AMINO}PHENYL)ETHYLIDENE]HYDRAZINECARBOXIMIDAMIDE 2YCF Raw