Complexes after comparative docking

Receptor: model based on 4NL2 chain:F
& 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
PGO_F_13 0.000 3.2 0.54 7.7 S-1,2-PROPANEDIOL 4NL2 Raw