Complexes after comparative docking

Receptor: model based on 4N8R 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
K08_A_5 0.000 8.2 0.69 32.2 5-(2-{(1Z)-2-METHYL-1-[4-(PROPAN-2-YL)BENZYLIDENE]-1H-INDEN-3-YL}ETHYL)-1H-TETRAZOLE 4N8R Raw