Complexes after comparative docking

Receptor: model based on 4LV1 chain:B
& 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
NL9_B_7 0.000 5.2 0.53 63.8 [1-(3-CHLOROPHENYL)-1H-PYRAZOL-4-YL]BORONIC ACID 4LV1 Raw