Complexes after comparative docking

Receptor: model based on 3VJH 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
J35_A_3 0.000 7.1 0.7 61.8 (2S)-2-[4-METHOXY-3-({[4-(TRIFLUOROMETHYL)BENZOYL]AMINO}METHYL)BENZYL]PENTANOIC ACID 3VJH Raw