Complexes after comparative docking

Receptor: model based on 4PVG 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
2WT_A_2 0.000 3.3 0.58 72.9 2-[3-({4-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-4-OXOBUTANOYL}AMINO)PHENYL]-6-HYDROXY-3-IODO-1-METHYL-1H-INDOLE-5-CARBOXYLIC ACID 4PVG Raw