DDS

2',3'-dideoxyadenosine triphosphate

Created:	2010-03-16
Last modified:	2011-06-04

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16 entries where DDS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	10

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Chemical Component Summary
Name	2',3'-dideoxyadenosine triphosphate
Systematic Name (OpenEye OEToolkits)	[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₁ P₃
Molecular Weight	475.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N
Canonical SMILES	CACTVS	3.370	Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey	InChI	1.03	OAKPWEUQDVLTCN-NKWVEPMBSA-N

Drug Info: DrugBank

DrugBank ID	DB02189
Name	2',3'-Dideoxyadenosine triphosphate
Groups	experimental
Synonyms	2',3'-Dideoxyadenosine triphosphate DDATP 2',3'-dideoxyadenosine 5'-triphosphate Dideoxyadenosine 5'-triphosphate 2',3'-Dideoxy-ATP 2',3'-DDATP 2',3'-dideoxyadenosine triphosphate
Categories	Adenine Nucleotides Deoxyribonucleotides Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines
CAS number	24027-80-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA nucleotidylexotransferase	MDPPRASHLSPRKKRPRQTGALMASSPQDIKFQDLVVFILEKKMGTTRRA...	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