Complexes after comparative docking

Receptor: model based on 4NL2 chain:D
& 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_D_7 0.000 3.3 0.48 31.8 S-1,2-PROPANEDIOL 4NL2 Raw