3DG

9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE

Created:	2003-11-10
Last modified:	2020-06-05

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1 entries where 3DG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	5

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Chemical Component Summary
Name	9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE
Synonyms	3-DEOXYGUANOSINE
Systematic Name (OpenEye OEToolkits)	2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Formula	C₁₀ H₁₃ N₅ O₄
Molecular Weight	267.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO
SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)C[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1C3C(CC(O3)CO)O)N=C(NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)C[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO)O)N=C(NC2=O)N
InChI	InChI	1.03	InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
InChIKey	InChI	1.03	OROIAVZITJBGSM-OBXARNEKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03609
Name	3'-deoxyguanosine
Groups	experimental
Description	3'-deoxyguanosine is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. This medication targets the protein purine nucleoside phosphorylase.
Synonyms	3'-deoxyguanosine
CAS number	3608-58-0

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

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

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