2SK

(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL

Created:	2006-01-24
Last modified:	2011-06-04

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1 entries where 2SK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	5
Bond Count	38
Aromatic Bond Count	6

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Chemical Component Summary
Name	(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Systematic Name (OpenEye OEToolkits)	(1R,2R,3R,4R,5S)-4-methylsulfanyl-5-(phenylmethylamino)cyclopentane-1,2,3-triol
Formula	C₁₃ H₁₉ N O₃ S
Molecular Weight	269.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC2C(O)C(NCc1ccccc1)C(SC)C2O
SMILES	CACTVS	3.341	CS[CH]1[CH](O)[CH](O)[CH](O)[CH]1NCc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CSC1C(C(C(C1O)O)O)NCc2ccccc2
Canonical SMILES	CACTVS	3.341	CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2
InChI	InChI	1.03	InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
InChIKey	InChI	1.03	CHTYSDQNKZIWBZ-ZOLYEBIHSA-N

Drug Info: DrugBank

DrugBank ID	DB06984
Name	(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol
Groups	experimental
Synonyms	(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol Benzylation of mannostatin A, 1b

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