Complexes after comparative docking

Receptor: model based on 2R4B 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
GW7_B_4 0.000 7.8 0.43 55.7 N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-ETHYLTHIENO[3,2-D]PYRIMIDIN-4-AMINE 2R4B Raw