Complexes after comparative docking

Receptor: model based on 2VES 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
GVR_A_5 0.000 4.6 0.64 86.8 (2R)-N-HYDROXY-3-NAPHTHALEN-2-YL-2-[(NAPHTHALEN-2-YLSULFONYL)AMINO]PROPANAMIDE 2VES Raw