Complexes after comparative docking

Receptor: model based on 4FKJ 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
11K_A_2 0.000 3.3 0.51 19.9 N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]ACETAMIDE 4FKJ Raw