LLT

L-deoxythymidine

Created:	2009-06-04
Last modified:	2020-05-27

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2 entries where LLT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	3
Bond Count	32
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-deoxythymidine
Synonyms	L-thymidine; beta-L-thymidine; L-dT; 2'-deoxy-L-thymidine; 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Formula	C₁₀ H₁₄ N₂ O₅
Molecular Weight	242.229
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)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)CO)O
InChI	InChI	1.03	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1
InChIKey	InChI	1.03	IQFYYKKMVGJFEH-CSMHCCOUSA-N

Drug Info: DrugBank

DrugBank ID	DB01265
Name	Telbivudine
Groups	approved investigational
Description	Telbivudine is a synthetic thymidine nucleoside analog with specific activity against the hepatitis B virus. Telbivudine is orally administered, with good tolerance, lack of toxicity and no dose-limiting side effects.
Synonyms	1-(2-deoxy-β-L-ribofuranosyl)-5-methyluracil Epavudine Beta-l-thymidine Telbivudin LDT L-DT Telbivudina β-L-2'-deoxythymidine 2'-Deoxy-L-thymidine L-thymidine L-deoxythymidine Telbivudine
Brand Names	Tyzeka Sebivo
Indication	For the treatment of chronic hepatitis B in adult and adolescent patients ≥16 years of age with evidence of viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease.
Categories	Anti-Infective Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Deoxyribonucleosides Direct Acting Antivirals Enzyme Inhibitors Hepatitis B Virus Nucleoside Analog Reverse Transcriptase Inhibitor Nucleic Acid Synthesis Inhibitors Nucleic Acids, Nucleotides, and Nucleosides Nucleoside and Nucleotide Reverse Transcriptase Inhibitors Nucleoside Reverse Transcriptase Inhibitors Nucleosides Nucleosides and Nucleotides Pyrimidine Nucleosides Pyrimidines
ATC-Code	J05AF11
CAS number	3424-98-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA	-	unknown
Protein P	MPLSYPHFRKLLLLDDEAGPLEEELPRLADEDLNRRVAADLNLQLPNVSI...	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