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CHEBI:101279 - GGTI-2133

ChEBI IDCHEBI:101279
ChEBI NameGGTI-2133
Stars
DefinitionAn organoammonium salt resulting from the mixing of equimolar amounts of GGTI-2133 free base and trifluoroacetic acid. An inhibitor of geranylgeranyltransferase type I.
Last Modified1 April 2016
DownloadsMolfile
FormulaC27H29N4O3.C2F3O2
Net Charge0
Average Mass570.568
Monoisotopic Mass570.20900
SMILESCC(C)C[C@H](NC(=O)c1ccc([NH2+]Cc2cncn2)cc1-c1cccc2ccccc12)C(=O)O.O=C([O-])C(F)(F)F
InChIInChI=1S/C27H28N4O3.C2HF3O2/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22;3-2(4,5)1(6)7/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34);(H,6,7)/t25-;/m0./s1
InChIKeyFXXUNOYBYJFSRB-UQIIZPHYSA-N
Roles Classification
Biological Role:
EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein geranylgeranyltransferase type I (EC 2.5.1.59).
ChEBI Ontology
Outgoing Relation(s)
GGTI-2133 (CHEBI:101279) has part GGTI-2133 free base(1+) (CHEBI:101333)
GGTI-2133 (CHEBI:101279) has part trifluoroacetate (CHEBI:27110)
GGTI-2133 (CHEBI:101279) has role EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor (CHEBI:67267)
GGTI-2133 (CHEBI:101279) is a organoammonium salt (CHEBI:46850)
IUPAC Names 
4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium trifluoroacetate
N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine trifluoroacetate
Synonym  Source
GGTI 2133ChEBI
Citations