Complexes after comparative docking

Receptor: model based on 4E3N 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
0NE_A_3 0.000 5.1 0.68 48.1 [({[4-(1H-TETRAZOL-5-YL)-2-(TRIFLUOROMETHYL)PHENYL]SULFONYL}AMINO)METHYL]BORONIC ACID 4E3N Raw