P2G

(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID

Created:	2005-08-04
Last modified:	2020-06-05

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2 entries where P2G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	5
Bond Count	42
Aromatic Bond Count	10

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Chemical Component Summary
Name	(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID
Synonyms	GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Systematic Name (OpenEye OEToolkits)	[(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-2-yl]phosphonic acid
Formula	C₁₁ H₁₄ N₅ O₈ P
Molecular Weight	375.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[CH](O[CH]34)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H](O[C@@H]34)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1
InChIKey	InChI	1.03	GKAPYWCOOQBBHV-KXSYMAMXSA-N

Drug Info: DrugBank

DrugBank ID	DB04757
Name	GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
Groups	experimental
Synonyms	GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Purine nucleoside phosphorylase	MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDY...	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