NOJ

1-DEOXYNOJIRIMYCIN

Created:	1999-07-08
Last modified:	2024-08-16

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24 entries where NOJ is found as a standalone ligand6 entries where NOJ is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	4
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	1-DEOXYNOJIRIMYCIN
Synonyms	MORANOLINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula	C₆ H₁₃ N O₄
Molecular Weight	163.172
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1C(NCC(O)C1O)CO
SMILES	CACTVS	3.370	OC[CH]1NC[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.0	C1C(C(C(C(N1)CO)O)O)O
Canonical SMILES	CACTVS	3.370	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey	InChI	1.03	LXBIFEVIBLOUGU-JGWLITMVSA-N

Drug Info: DrugBank

DrugBank ID	DB03206
Name	Duvoglustat
Groups	investigational
Description	An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity.
Synonyms	1,5-dideoxy-1,5-imino-D-glucitol 1-deoxy-nojirimycin 1-deoxynojirimycin 1,5-deoxy-1,5-imino-D-mannitol 5-amino-1,5-dideoxy-D-glucopyranose Duvoglustat 1 deoxynojirimycin DNJ Duvoglustat hydrochloride Deoxynojirimycin (+)-1-Deoxynojirimycin D-1-deoxynojirimycin
Categories	Alkaloids Amino Sugars Anti-Infective Agents Carbohydrates Enzyme Inhibitors Hexosamines Imines Imino Pyranoses Imino Sugars Piperidines
CAS number	19130-96-2

Drug Targets

Name	Target Sequence	Pharmacological Action
Cyclomaltodextrin glucanotransferase	MKRFMKLTAVWTLWLSLTLGLLSPVHAAPDTSVSNKQNFSTDVIYQIFTD...	unknown
Beta-glucosidase A	MNVKKFPEGFLWGVATASYQIEGSPLADGAGMSIWHTFSHTPGNVKNGDT...	unknown
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase	MAACEGRRSGALGSSQSDFLTPPVGGAPWAVATTVVMYPPPPPPPHRDFI...	unknown
Mannosyl-oligosaccharide alpha-1,2-mannosidase	MRLPVSFPLTVLSLLGSTIAHPYGETEAVLRSEPKSNQAKADAVKEAFQH...	unknown
Xylose isomerase	MSVQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682