Complexes after comparative docking

Receptor: model based on 4GUH chain:B
& 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
3DS_B_5 0.000 4.6 0.47 87.0 (4S,5R)-4,5-DIHYDROXY-3-OXOCYCLOHEX-1-ENE-1-CARBOXYLIC ACID 4GUH Raw