ILO

N5-IMINOETHYL-L-ORNITHINE

Created:2000-02-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count26
Aromatic Bond Count0
2D diagram of ILO

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Chemical Component Summary

NameN5-IMINOETHYL-L-ORNITHINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-5-(ethanimidoylamino)pentanoic acid
FormulaC7 H15 N3 O2
Molecular Weight173.213
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CCCNC(=[N@H])C
SMILESCACTVS3.341CC(=N)NCCC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(=N)NCCCC(C(=O)O)N
Canonical SMILESCACTVS3.341 CC(=N)NCCC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=N)NCCC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
InChIKeyInChI1.03 UYZFAUAYFLEHRC-LURJTMIESA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03305 
NameN(G)-Iminoethylornithine
Groups experimental
Synonyms
  • N5-(1-Iminoethyl)-L-ornithine
  • N(G)-Iminoethylornithine
  • L-NIO
Categories
  • Amino Acids
  • Amino Acids, Basic
  • Amino Acids, Diamino
  • Amino Acids, Peptides, and Proteins
  • Enzyme Inhibitors
CAS number36889-13-1

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Nitric oxide synthase, inducibleMACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...unknowninhibitor
Nitric oxide synthase 1MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...unknowninhibitor
Nitric oxide synthase 3MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknowninhibitor
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
Pharos CHEMBL11471
PubChem 107984
ChEMBL CHEMBL11471