GPX

GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE

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

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2 entries where GPX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	6
Bond Count	48
Aromatic Bond Count	10

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Chemical Component Summary
Name	GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(1R,3S,5R,6R,8R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0]octan-6-yl]methyl phosphono hydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₁₃ P₃
Molecular Weight	505.165
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P3(OC4C(OC(n1c2N=C(N)NC(=O)c2nc1)C4O3)COP(=O)(O)OP(=O)(O)O)O
SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@H]4O[P@@](O)(=O)O[C@@H]34
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C10H14N5O13P3/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(26-31(22,23)27-6)3(25-9)1-24-30(20,21)28-29(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1
InChIKey	InChI	1.03	NGYWTCOGOZELRS-UUOKFMHZSA-N

Drug Info: DrugBank

DrugBank ID	DB02836
Name	Guanosine 5'-diphosphate 2':3'-cyclic monophosphate
Groups	experimental
Synonyms	Guanosine 5'-diphosphate 2':3'-cyclic monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenylosuccinate synthetase	MGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEK...	unknown
Bifunctional (p)ppGpp synthase/hydrolase RelA	MAKEINLTGEEVVALAAKYMNETDAAFVKKALDYATAAHFYQVRKSGEPY...	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