Complexes after comparative docking

Receptor: model based on 3QGW 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
PQC_A_3 0.000 6.0 0.7 61.2 3-[(8-PHENYLTHIENO[2,3-H]QUINAZOLIN-2-YL)AMINO]BENZENESULFONAMIDE 3QGW Raw