Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMOB7P6)

• Drug Name: 2',3'-ddATP Drug Info
• Synonyms: 2',3'-Dideoxyadenosine triphosphate; ddATP; UNII-9MCI2H1EJ6; 2',3'-dideoxyadenosine-5'-triphosphate; 24027-80-3; dideoxyadenosine triphosphate; CHEMBL1383; 9MCI2H1EJ6; 2',3'-DIDEOXYADENOSINE 5'-TRIPHOSPHATE; Adenosine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-; 2',3'-Dideoxy-ATP; ddA-TP; ATP,2',3'-dideoxy; SCHEMBL79815; GTPL1709; AC1L230G; DTXSID90178767; MolPort-044-561-436; ZINC12501706; BDBM50164644; AKOS030589611; 2'',3''-dideoxyadenosine triphosphate; DB02189; 2',3'-Dideoxyadenosine-5-triphosphate; 2',3'-Dideoxyadenosine Triphosphate (Ddatp)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 65304
  CAS Number: CAS 24027-80-3
  TTD Drug ID: DMOB7P6

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Reverse transcriptase (HIV RT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[4]
Nevirapine	DM6HX9B	Human immunodeficiency virus infection	1C62	Approved	[5]
Zalcitabine	DMH7MUV	Human immunodeficiency virus infection	1C62	Approved	[6]
Tenofovir	DM1IS6U	Human immunodeficiency virus infection	1C62	Approved	[4]
Lamivudine	DMI347A	Chronic HBV infection	1E51.0Z	Approved	[7]
Abacavir	DMMN36E	Human immunodeficiency virus infection	1C62	Approved	[8]
Delavirdine	DM3NF5G	Human immunodeficiency virus infection	1C62	Approved	[7]
Efavirenz	DMC0GSJ	Human immunodeficiency virus infection	1C62	Approved	[7]
Rilpivirine	DMJ0QOW	Human immunodeficiency virus infection	1C62	Approved	[9]
Etravirine	DMGV8QU	Human immunodeficiency virus-1 infection	1C62	Approved	[10]

Drug(s) Targeting P2Y purinoceptor 1 (P2RY1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
adenosine diphosphate	DMFUHKP	N. A.	N. A.	Investigative	[11]
2MeSATP	DMUE0W6	Discovery agent	N.A.	Investigative	[11]
PPADS	DMWHN3T	Discovery agent	N.A.	Investigative	[11]
2MeSADP	DMGADQ1	Discovery agent	N.A.	Investigative	[12]
ATPgammaS	DMXHQIN	Discovery agent	N.A.	Investigative	[3]
[35S]ADPbetaS	DMAYPTO	Discovery agent	N.A.	Investigative	[13]
MRS2298	DMZ6EGA	Discovery agent	N.A.	Investigative	[14]
MRS2500	DMNGTOY	Discovery agent	N.A.	Investigative	[15]
2,2'-pyridylisatogen tosylate	DMOQDBA	Discovery agent	N.A.	Investigative	[16]
PMID23368907C16	DMPHKJI	Discovery agent	N.A.	Investigative	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[2]
P2Y purinoceptor 1 (P2RY1)	TTA93TL	P2RY1_HUMAN	Agonist	[3]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1709).
• [2] Synthesis of 2',3'-dideoxynucleoside 5'-alpha-P-borano-beta,gamma-(difluoromethylene)triphosphates and their inhibition of HIV-1 reverse transcript... J Med Chem. 2005 Apr 7;48(7):2695-700.
• [3] An examination of deoxyadenosine 5'(alpha-thio)triphosphate as a ligand to define P2Y receptors and its selectivity as a low potency partial agonist of the P2Y1 receptor. Br J Pharmacol. 1997 May;121(2):338-44.
• [4] Antiviral drugs in current clinical use. J Clin Virol. 2004 Jun;30(2):115-33.
• [5] HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.Nat Struct Mol Biol.2012 Jan 22;19(2):253-9.
• [6] A peptide inhibitor of HIV-1 reverse transcriptase using alpha,beta-dehydro residues: a structure-based computer model. J Biomol Struct Dyn. 1998 Oct;16(2):347-54.
• [7] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [8] Quadruple nucleos(t)ide reverse transcriptase inhibitors-only regimen of tenofovir plus zidovudine/lamivudine/abacavir in heavily pre-treated HIV-1 infected patients: salvage therapy or backbone only Curr HIV Res. 2009 May;7(3):320-6.
• [9] Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
• [10] 2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
• [11] Quantitation of the P2Y(1) receptor with a high affinity radiolabeled antagonist. Mol Pharmacol. 2002 Nov;62(5):1249-57.
• [12] Molecular cloning of the platelet P2T(AC) ADP receptor: pharmacological comparison with another ADP receptor, the P2Y(1) receptor. Mol Pharmacol. 2001 Sep;60(3):432-9.
• [13] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 323).
• [14] Antiaggregatory activity in human platelets of potent antagonists of the P2Y 1 receptor. Biochem Pharmacol. 2004 Nov 15;68(10):1995-2002.
• [15] 2-Substitution of adenine nucleotide analogues containing a bicyclo[3.1.0]hexane ring system locked in a northern conformation: enhanced potency as P2Y1 receptor antagonists. J Med Chem. 2003 Nov 6;46(23):4974-87.
• [16] 2,2'-Pyridylisatogen tosylate antagonizes P2Y1 receptor signaling without affecting nucleotide binding. Biochem Pharmacol. 2004 Jul 15;68(2):231-7.
• [17] Two disparate ligand-binding sites in the human P2Y1 receptor. Nature. 2015 Apr 16;520(7547):317-21.