Complexes after comparative docking

Receptor: model based on 3SLS 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
77D_A_5 0.000 7.9 0.54 48.5 2-[(2-FLUORO-4-IODOPHENYL)AMINO]-5,5-DIMETHYL-8-OXO-N-[(3R)-PIPERIDIN-3-YL]-5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-C]AZEPINE-3-CARBOXAMIDE 3SLS Raw