Complexes after comparative docking

Receptor: model based on 3SW7 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
19K_A_2 0.000 3.5 0.65 19.6 N~4~-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N~1~,N~1~-DIMETHYL-2-NITROBENZENE-1,4-DIAMINE 3SW7 Raw