Complexes after comparative docking

Receptor: model based on 3R9D 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
X6B_A_2 0.000 5.6 0.73 72.7 4-AMINO-N-(3-FLUOROPHENYL)-2-[(4-SULFAMOYLPHENYL)AMINO]-1,3-THIAZOLE-5-CARBOXAMIDE 3R9D Raw