Complexes after comparative docking

Receptor: model based on 4DGO 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
0JW_A_2 0.000 5.3 0.72 58.3 (2E)-2-[(R)-AMINO(HYDROXY)METHYL]-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENENITRILE 4DGO Raw