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The predicted binding mode of 1j indicates the C5-amino substituent forms hydrogen bonding interaction with the carboxylic backbone of the Ser201 residue and a hydrophobic bonding with the Ser213 residue unlike the NCA amide group that is in hydrogen bonding distance from with the NNMT Ser213 residue

Diagnosis and phenotypic assessment of trimethylaminuria, and its treatment with riboflavin: (1)H NMR spectroscopy and genetic testing

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