Complexes after comparative docking

Receptor: model based on 4E3I 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
0N3_B_7 0.000 5.4 0.7 71.9 3-({[(DIHYDROXYBORANYL)METHYL]SULFAMOYL}METHYL)BENZOIC ACID 4E3I Raw