Complexes after comparative docking

Receptor: model based on 4BIC 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
IE4_A_3 0.000 5.4 0.74 76.7 N-(2-AMINOETHYL)-5-{1H-PYRROLO[2,3-B]PYRIDIN-3-YL}THIOPHENE-2-SULFONAMIDE 4BIC Raw