Complexes after comparative docking

Receptor: model based on 3UO6 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
0BY_A_3 0.000 6.8 0.74 78.8 4-({4-[(2-CHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID 3UO6 Raw