Complexes after comparative docking

Receptor: model based on 4CC5 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
L5V_A_3 0.000 4.2 0.59 49.6 2-CHLORANYL-6-(1H-1,2,4-TRIAZOL-3-YL)PYRAZINE 4CC5 Raw