Complexes after comparative docking

Receptor: model based on 4HWS 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
1B3_B_6 0.000 9.7 0.88 92.9 N-{[3-(4-AMINO-2-CHLOROQUINAZOLIN-7-YL)PHENYL]SULFONYL}-L-THREONINAMIDE 4HWS Raw