Complexes after comparative docking

Receptor: model based on 4R6S 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
3K2_A_3 0.000 6.6 0.82 60.6 4 -[(2,3-DIMETHYL-5-{[(1R)-1-(4-NITROPHENYL)ETHYL]CARBAMOYL}-1H-INDOL-1-YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID 4R6S Raw