Complexes after comparative docking

Receptor: model based on 2GPP 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
1BA_A_5 0.000 7.3 0.77 66.9 4-HYDROXY-N -(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE 2GPP Raw