NOS

INOSINE

Created:	1999-07-08
Last modified:	2018-09-13

Find Related PDB Entry
28 entries where NOS is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	4
Bond Count	33
Aromatic Bond Count	5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	INOSINE
Systematic Name (OpenEye OEToolkits)	9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-6-one
Formula	C₁₀ H₁₂ N₄ O₅
Molecular Weight	268.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
SMILES	OpenEye OEToolkits	2.0.6	c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O
InChI	InChI	1.03	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKey	InChI	1.03	UGQMRVRMYYASKQ-KQYNXXCUSA-N

Drug Info: DrugBank

DrugBank ID	DB04335
Name	Inosine
Groups	investigational experimental
Description	A purine nucleoside that has hypoxanthine linked by the N9 nitrogen to the C1 carbon of ribose. It is an intermediate in the degradation of purines and purine nucleosides to uric acid and in pathways of purine salvage. It also occurs in the anticodon of certain transfer RNA molecules. (Dorland, 28th ed)
Synonyms	9-β-D-ribofuranosyl-9H-purin-6-ol Inosine beta-Inosine Inosin INO 9-β-D-ribofuranosylhypoxanthine hypoxanthine D-riboside Inosina Inosinum Hypoxanthosine
Brand Names	Rejuvesol
Indication	The primary popular claim made for inosine, that it enhances exercise and athletic performance, is refuted by the available research data. There is some preliminary evidence that inosine may have some neurorestorative, anti-inflammatory, immunomodulatory and cardioprotective effects.
Categories	Dermatologicals Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Ophthalmologicals Purine Nucleosides Purines Ribonucleosides Sensory Organs
ATC-Code	G01AX02 S01XA10 D06BB05
CAS number	58-63-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Purine nucleoside phosphorylase	MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDY...	unknown
IAG-nucleoside hydrolase	MAKNVVLDHDGNLDDFVAMVLLASNTEKVRLIGALCTDADCFVENGFNVT...	unknown
Purine nucleoside phosphorylase DeoD-type	MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...	unknown
Xanthine dehydrogenase/oxidase	MTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGA...	unknown	substrate,inducer
Solute carrier family 28 member 3	MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNT...	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