Complexes after comparative docking

Receptor: model based on 2HDX chain:D
& 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
CHAIN_J_10 0.000 5.2 0.57 0.0 Jak2 protein 2HDX Raw