Complexes after comparative docking

Receptor: model based on 4DUH 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
RLI_A_3 0.000 6.3 0.58 90.0 4-{[4 -METHYL-2 -(PROPANOYLAMINO)-4,5 -BI-1,3-THIAZOL-2-YL]AMINO}BENZOIC ACID 4DUH Raw