KIF

KIFUNENSINE

Created: 2000-10-11
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count5
Bond Count29
Aromatic Bond Count0
2D diagram of KIF
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Chemical Component Summary

NameKIFUNENSINE
Systematic Name (OpenEye OEToolkits)(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-2,3-dione
FormulaC8 H12 N2 O6
Molecular Weight232.191
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO
SMILESCACTVS3.341OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2NC(=O)C(=O)N12
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O
Canonical SMILESCACTVS3.341 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H]2NC(=O)C(=O)N12
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O
InChIInChI1.03 InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1
InChIKeyInChI1.03 OIURYJWYVIAOCW-PQMKYFCFSA-N

Drug Info: DrugBank

DrugBank IDDB02742 
NameKifunensine
Groups experimental
SynonymsKifunensine
CategoriesEnzyme Inhibitors
CAS number109944-15-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Alpha-mannosidase 2MKLSRQFTVFGSAIFCVVIFSLYLMLDRGHLDYPRNPRREGSFPQGQLSM...unknown
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidaseMAACEGRRSGALGSSQSDFLTPPVGGAPWAVATTVVMYPPPPPPPHRDFI...unknown
Mannosyl-oligosaccharide alpha-1,2-mannosidaseMRLPVSFPLTVLSLLGSTIAHPYGETEAVLRSEPKSNQAKADAVKEAFQH...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 130611
ChEMBL CHEMBL1233851
CCDC/CSD KASNOH, KASNOH10