Literature summary for 3.4.21.118 extracted from

Raza, S.; Ranaghan, K.E.; van der Kamp, M.W.; Woods, C.J.; Mulholland, A.J.; Azam, S.S.
Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD) application to ligand binding in the kallikrein-8 S1 site (2019), J. Comput. Aided Mol. Des., 33, 461-475 .

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Application

Application	Comment	Organism
analysis	binding assessment of ligands to kallikrein-8 using a residue-wise decomposition of the binding energy. Use of chemical energy-wise decomposition or CHEWD for residue-wise decomposition of binding energies	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
1-(2-bromobenzene-1-sulfonyl)-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-4-yl)-1H-indole	compound is a promising lead for development of novel kallikrein-8 inhibitors. It binds stably to the kallikrein-8 S1 binding site	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	O60259	-	-

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Release 2023.1 (January 2023)