Complexes after comparative docking

Receptor: model based on 3QTX 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
X43_A_2 0.000 4.6 0.73 85.6 4-{[4-AMINO-5-(3-NITROBENZOYL)-1,3-THIAZOL-2-YL]AMINO}BENZENESULFONAMIDE 3QTX Raw