Complexes after comparative docking

Receptor: model based on 4FKO 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
20K_A_2 Error Error 0.23 0.0 2-CHLORO-N~4~-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N~1~,N~1~-DIMETHYLBENZENE-1,4-DIAMINE 4FKO Raw