Complexes after comparative docking

Receptor: model based on 4ZQC 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
DMS_A_5 0.000 3.4 0.35 13.6 DIMETHYL SULFOXIDE 4ZQC Raw
F6F_A_4 0.000 4.3 0.48 35.4 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE 4ZQC Raw