Complexes after comparative docking

Receptor: model based on 3PS1 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
ZH2_A_3 0.000 4.9 0.68 80.0 4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]-N-[(2S,3R)-3-HYDROXY-1-NITROSO-1-OXOBUTAN-2-YL]BENZAMIDE 3PS1 Raw