Complexes after comparative docking

Receptor: model based on 4HVI 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
19S_A_2 0.000 6.5 0.38 94.2 2-CYCLOPROPYL-N-[(2R)-1-OXO-1-(PIPERIDIN-1-YL)PROPAN-2-YL]-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE 4HVI Raw