Complexes after comparative docking

Receptor: model based on 3ET0 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
ET0_A_3 0.000 5.2 0.74 59.4 3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID 3ET0 Raw