Complexes after comparative docking

Receptor: model based on 4GUI 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
QIC_A_3 0.000 5.2 0.7 98.6 (1S,3R,4S,5R)-1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 4GUI Raw