Complexes after comparative docking

Receptor: model based on 3K6L 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
2BB_B_7 0.000 4.5 0.71 91.8 (2S,3R)-N~4~-[(1S)-1-(DIMETHYLCARBAMOYL)-2,2-DIMETHYLPROPYL]-N~1~,2-DIHYDROXY-3-(2-METHYLPROPYL)BUTANEDIAMIDE 3K6L Raw