Complexes after comparative docking

Receptor: model based on 3EOC chain:C
& 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
T2A_C_6 0.000 6.1 0.54 77.7 5-METHYL-7-PHENYL-N-(3,4,5-TRIMETHOXYPHENYL)IMIDAZO[5,1-F][1,2,4]TRIAZIN-2-AMINE 3EOC Raw