Complexes after comparative docking

Receptor: model based on 6EHK 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
54G_A_5 0.000 3.5 0.46 78.6 2-hydroxy-5-methylbenzoic acid 6EHK Raw
AUW_A_4 0.000 7.0 0.58 40.8 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine 6EHK Raw