Literature summary extracted from

Dube, D.; Tripathi, S.M.; Ramachandran, R.
Identification of in vitro inhibitors of Mycobacterium tuberculosis lysine epsilon-aminotransferase by pharmacophore mapping and three-dimensional flexible searches (2008), Med. Chem. Res., 17, 182-188.

No PubMed abstract available

Crystallization (Commentary)

EC Number	Crystallization (Comment)	Organism
2.6.1.36	docking experiments based on crystal structure PDB code 2CJH in order to identify enzyme inhibitors	Mycobacterium tuberculosis

Inhibitors

EC Number	Inhibitors	Comment	Organism	Structure
2.6.1.36	2-oxopentanedioic acid	binding energy 6.48 kcal per mol	Mycobacterium tuberculosis
2.6.1.36	2-[methyl[(1-methylpiperidin-2-yl)methyl]amino]-1-phenylethanol	binding energy 7.23 kcal per mol	Mycobacterium tuberculosis
2.6.1.36	N-([2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-5-yl]methyl)-2-(4-methoxyphenyl)acetamide	binding energy 10.79 kcal per mol	Mycobacterium tuberculosis

Organism

EC Number	Organism	UniProt	Comment	Textmining
2.6.1.36	Mycobacterium tuberculosis	P9WQ77	-	-

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Release 2023.1 (January 2023)