8IG

8-IODO-GUANINE

Created:1999-08-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count5
2D diagram of 8IG

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Chemical Component Summary

Name8-IODO-GUANINE
Systematic Name (OpenEye OEToolkits)2-amino-8-iodo-1,9-dihydropurin-6-one
FormulaC5 H4 I N5 O
Molecular Weight277.023
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Ic2nc1c(N=C(NC1=O)N)n2
SMILESCACTVS3.341NC1=Nc2[nH]c(I)nc2C(=O)N1
SMILESOpenEye OEToolkits1.5.0c12c([nH]c(n1)I)N=C(NC2=O)N
Canonical SMILESCACTVS3.341 NC1=Nc2[nH]c(I)nc2C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 c12c([nH]c(n1)I)N=C(NC2=O)N
InChIInChI1.03 InChI=1S/C5H4IN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChIKeyInChI1.03 SXGFECRAKVVEJT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02985 
Name8-iodo-guanine
Groups experimental
Synonyms8-iodo-guanine

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylaseMENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDY...unknowninhibitor
Purine nucleoside phosphorylaseTTTTPPSTPPLDDPATDPFLVARAAADHIAQATGVEGHDMALVLGSGWGG...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 135431972, 5287561, 444737