Complexes after comparative docking

Receptor: model based on 4UG2 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
OLB_B_5 0.000 5.5 0.59 21.1 (2S)-2,3-DIHYDROXYPROPYL (9Z)-OCTADEC-9-ENOATE 4UG2 Raw