LKA

5-thio-alpha-D-mannopyranosylamine

Created:	2003-10-07
Last modified:	2020-07-17

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1 entries where LKA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	5
Bond Count	25
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-thio-alpha-D-mannopyranosylamine
Synonyms	5-THIO-A/B-D-MANNOPYRANOSYLAMINE; 5-thio-alpha-D-mannosylamine; 5-thio-D-mannosylamine; 5-thio-mannosylamine
Systematic Name (OpenEye OEToolkits)	(2S,3S,4S,5S,6R)-2-amino-6-(hydroxymethyl)thiane-3,4,5-triol
Formula	C₆ H₁₃ N O₄ S
Molecular Weight	195.237
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(SC(N)C1O)CO
SMILES	CACTVS	3.341	N[CH]1S[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(S1)N)O)O)O)O
Canonical SMILES	CACTVS	3.341	N[C@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
InChIKey	InChI	1.03	FGVRMLQUWLZGLJ-PQMKYFCFSA-N

Drug Info: DrugBank

DrugBank ID	DB03414
Name	5-Thio-a/B-D-Mannopyranosylamine
Groups	experimental
Synonyms	5-Thio-a/B-D-Mannopyranosylamine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Alpha-mannosidase 2	MKLSRQFTVFGSAIFCVVIFSLYLMLDRGHLDYPRNPRREGSFPQGQLSM...	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