Complexes after comparative docking

Receptor: model based on 3UOL 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
0C7_A_3 0.000 6.9 0.78 79.7 N~4~-(2-CHLOROPHENYL)-N~2~-[4-(1H-TETRAZOL-5-YL)PHENYL]PYRIMIDINE-2,4-DIAMINE 3UOL Raw