Complexes after comparative docking

Receptor: model based on 3TUH 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
TUH_B_4 0.000 5.4 0.56 66.9 5-[2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL]-4-(1-METHYL-1H-INDOL-5-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE 3TUH Raw