ATM

3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE

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

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9 entries where ATM is found as a standalone ligand2 entries where ATM is covalently linked to polymer or other heterogen groups 8 entries where ATM is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₇ P
Molecular Weight	347.221
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)COP(=O)(O)O
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-]
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]
InChI	InChI	1.03	InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	OIFWQOKDSPDILA-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank ID	DB03666
Name	Zidovudine monophosphate
Groups	experimental
Synonyms	3'-Azido-2',3'-deoxythymidine 5'-monophosphate ZDVMP Zidovudine monophosphate Zidovudine 5'-monophosphate AZTMP 3'-Azido-3'-deoxythymidine 5'-phosphate Zdv 5'-monophosphate
Categories	Deoxyribonucleosides Deoxyribonucleotides Dideoxynucleosides Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Nucleotides Pyrimidine Nucleosides Pyrimidine Nucleotides Pyrimidines
CAS number	29706-85-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate kinase	MAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...	unknown
Thymidylate kinase	MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE...	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