Complexes after comparative docking

Receptor: model based on 3D15 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
AK2_A_2 0.000 8.8 0.79 70.0 1-(3-CHLOROPHENYL)-3-{5-[2-(THIENO[3,2-D]PYRIMIDIN-4-YLAMINO)ETHYL]-1,3-THIAZOL-2-YL}UREA 3D15 Raw