Complexes after comparative docking

Receptor: model based on 3QQG 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
X06_A_3 0.000 5.7 0.68 47.0 4-CHLORO-2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)PHENOL 3QQG Raw