Complexes after comparative docking

Receptor: model based on 3UOK chain:B
& 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_B_4 0.000 7.1 0.77 78.8 4-({4-[(2-CHLOROPHENYL)AMINO]-5-FLUOROPYRIMIDIN-2-YL}AMINO)BENZOIC ACID 3UOK Raw