Complexes after comparative docking

Receptor: model based on 5CR5 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
EL1_A_4 0.000 2.1 0.21 7.7 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2 -[(methylsulfonyl)amino]biphenyl-4-carboxamide 5CR5 Raw