Complexes after comparative docking

Receptor: model based on 4YQ6 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
4FX_A_2 0.000 6.7 0.66 81.9 6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide 4YQ6 Raw