Complexes after comparative docking

Receptor: model based on 3UOK 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
0C6_A_3 0.000 5.9 0.7 77.5 4-({4-[(2-CHLOROPHENYL)AMINO]-5-FLUOROPYRIMIDIN-2-YL}AMINO)BENZOIC ACID 3UOK Raw