Complexes after comparative docking

Receptor: model based on 3LE8 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
2B5_B_11 0.000 8.2 0.66 35.4 2-(2-((BENZOFURAN-2-CARBOXAMIDO)METHYL)-5-METHOXY-1H-INDOL-1-YL)ACETIC ACID 3LE8 Raw