Complexes after comparative docking

Receptor: model based on 1LPZ 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
CMB_B_4 0.000 9.2 0.68 39.2 1-(3-CARBAMIMIDOYLBENZYL)-N-(3,5-DICHLOROBENZYL)-4-METHYL-1H-INDOLE-2-CARBOXAMIDE 1LPZ Raw