Complexes after comparative docking

Receptor: model based on 3R1Q 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
X75_A_3 0.000 5.6 0.58 61.8 4-CHLORO-2-{[(6-CHLOROPYRIDIN-3-YL)METHYL]AMINO}-5-NITROBENZAMIDE 3R1Q Raw