Complexes after comparative docking

Receptor: model based on 4HWS 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
1B3_A_4 0.000 4.7 0.77 89.8 N-{[3-(4-AMINO-2-CHLOROQUINAZOLIN-7-YL)PHENYL]SULFONYL}-L-THREONINAMIDE 4HWS Raw