Complexes after comparative docking

Receptor: model based on 3DK3 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
SX7_A_4 0.000 7.9 0.62 66.7 2-AMINO-5-[3-(1-ETHYL-1H-PYRAZOL-5-YL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLBENZAMIDE 3DK3 Raw