Complexes after comparative docking

Receptor: model based on 4FIC 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
0UL_A_3 0.000 5.3 0.57 54.0 6-PHENYL[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-2-AMINE 4FIC Raw