7RA

7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-5'-PHOSPHATE

Created:	2002-03-19
Last modified:	2011-06-04

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1 entries where 7RA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	10

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Chemical Component Summary
Name	7-ALPHA-D-RIBOFURANOSYL-2-AMINOPURINE-5'-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5S)-5-(2-aminopurin-7-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₄ N₅ O₇ P
Molecular Weight	347.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC3OC(n2cnc1nc(ncc12)N)C(O)C3O
SMILES	CACTVS	3.341	Nc1ncc2n(cnc2n1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)N
Canonical SMILES	CACTVS	3.341	Nc1ncc2n(cnc2n1)[C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N
InChI	InChI	1.03	InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)13-3-15(4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
InChIKey	InChI	1.03	UDRQVOJQMHZSIM-PULFBKJNSA-N

Drug Info: DrugBank

DrugBank ID	DB02770
Name	7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate
Groups	experimental
Synonyms	7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...	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