Complexes after comparative docking

Receptor: model based on 3E8N 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
VRA_A_4 0.000 4.5 0.6 76.3 N-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-6-METHOXYPHENYL}-1-[(2S)-2,3-DIHYDROXYPROPYL]CYCLOPROPANESULFONAMIDE 3E8N Raw