GDN

GLUTATHIONE S-(2,4 DINITROBENZENE)

Created:	1999-07-08
Last modified:	2011-06-04

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10 entries where GDN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	2
Bond Count	51
Aromatic Bond Count	6

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Chemical Component Summary
Name	GLUTATHIONE S-(2,4 DINITROBENZENE)
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,4-dinitrophenyl)sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₆ H₁₉ N₅ O₁₀ S
Molecular Weight	473.415
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
SMILES	CACTVS	3.341	N[CH](CCC(=O)N[CH](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
InChIKey	InChI	1.03	FXEUKVKGTKDDIQ-UWVGGRQHSA-N

Drug Info: DrugBank

DrugBank ID	DB02458
Name	S-(2,4-dinitrophenyl)glutathione
Groups	experimental
Synonyms	S-(2,4-dinitrophenyl)glutathione DNP-SGc dinitrophenyl-S-glutathione DNP-S-glutathione
Categories	Amino Acids, Peptides, and Proteins Haptens Oligopeptides Peptides
CAS number	26289-39-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutathione S-transferase Mu 1	MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...	unknown
Glutathione S-transferase Mu 2	MPMTLGYWNIRGLAHSIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...	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