Complexes after comparative docking

Receptor: model based on 4FKV 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
61K_A_2 0.000 2.2 0.59 21.8 (3Z)-N-[2-(1H-IMIDAZOL-4-YL)ETHYL]-2-OXO-3-[2-(4-SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2,3-DIHYDRO-1H-INDOLE-5-CARBOXAMIDE 4FKV Raw