Complexes after comparative docking

Receptor: model based on 4OWO 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
6F0_B_14 0.000 3.6 0.59 92.4 2-azanyl-6-fluoranyl-benzoic acid 4OWO Raw
PRP_B_12 0.000 7.0 0.94 50.5 ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID 4OWO Raw