Complexes after comparative docking

Receptor: model based on 4E3K chain:B
& 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
0NA_B_6 0.000 4.4 0.78 57.6 [({[6-(1H-TETRAZOL-5-YL)PYRIDIN-3-YL]SULFONYL}AMINO)METHYL]BORONIC ACID 4E3K Raw