Complexes after comparative docking

Receptor: model based on 1LXC 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
NAD_G_7 0.000 9.7 1 74.8 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 1LXC Raw
AYM_K_11 0.000 6.4 0.58 96.1 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE 1LXC Raw