Complexes after comparative docking

Receptor: model based on 4MB9 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
28F_A_3 0.000 4.6 0.64 68.1 1-ETHYL-3-{6-(PYRIMIDIN-5-YL)-5-[(3R)-TETRAHYDROFURAN-3-YLMETHOXY][1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL}UREA 4MB9 Raw