Complexes after comparative docking

Receptor: model based on 1OI9 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
N20_A_5 0.000 6.3 0.59 89.4 6-CYCLOHEXYLMETHYLOXY-2-(4 -HYDROXYANILINO)PURINE 1OI9 Raw