5AS

5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE

Created: 2004-01-16
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count45
Aromatic Bond Count10
2D diagram of 5AS
Toggle HydrogenToggle Labels

Chemical Component Summary

Name5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-ethylsulfamate
FormulaC12 H18 N6 O6 S
Molecular Weight374.373
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)NCC
SMILESCACTVS3.341CCN[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILESOpenEye OEToolkits1.5.0CCNS(=O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILESCACTVS3.341 CCN[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILESOpenEye OEToolkits1.5.0 CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O
InChIInChI1.03 InChI=1S/C12H18N6O6S/c1-2-17-25(21,22)23-3-6-8(19)9(20)12(24-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,17,19-20H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKeyInChI1.03 ONCSLXAPOGUODU-WOUKDFQISA-N

Drug Info: DrugBank

DrugBank IDDB02162 
Name5'-O-(N-Ethyl-Sulfamoyl)Adenosine
Groups experimental
Synonyms5'-O-(N-Ethyl-Sulfamoyl)Adenosine

Drug Targets

NameTarget SequencePharmacological ActionActions
Histidine triad nucleotide-binding protein 1MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPT...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

Related Resource References

Resource NameReference
PubChem 17753791