Complexes after comparative docking

Receptor: model based on 3QTS 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
X46_A_2 0.000 5.2 0.64 96.6 [4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOL-5-YL](3-METHOXYPHENYL)METHANONE 3QTS Raw