Complexes after comparative docking

Receptor: model based on 2VTN 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
LZ7_A_2 0.000 3.9 0.55 65.7 4-(ACETYLAMINO)-N-(4-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE 2VTN Raw