LEE

L-gamma-glutamyl-S-hexyl-L-cysteinylglycine

Created:	2009-02-05
Last modified:	2011-06-04

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1 entries where LEE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-hexylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₆ H₂₉ N₃ O₆ S
Molecular Weight	391.483
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C(=O)O)N
SMILES	CACTVS	3.370	CCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1
InChIKey	InChI	1.03	HXJDWCWJDCOHDG-RYUDHWBXSA-N

Drug Info: DrugBank

DrugBank ID	DB04132
Name	S-Hexylglutathione
Groups	experimental
Synonyms	S-Hexyl-L-glutathione S-Hexylglutathione S-Hexyl-glutathione Hexylglutathione
Categories	Amino Acids, Peptides, and Proteins Enzyme Inhibitors Lactoylglutathione Lyase, antagonists & inhibitors Oligopeptides Peptides
CAS number	24425-56-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lactoylglutathione lyase	MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYT...	unknown
Glutathione S-transferase Mu 4	MSMTLGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...	unknown
Glutathione S-transferase P	MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY...	unknown
Glutathione S-transferase	MGDNIVLYYFDARGKAELIRLIFAYLGIEYTDKRFGVNGDAFVEFKNFKK...	unknown
Glutathione S-transferase A1	MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...	unknown	ligand
Glutathione S-transferase theta-2	MGLELFLDLVSQPSRAVYIFAKKNGIPLELRTVDLVKGQHKSKEFLQINS...	unknown
Glutathione S-transferase A1	MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...	unknown	ligand
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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