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CHEBI:232872 - GGTI 298 trifluoroacetate

ChEBI IDCHEBI:232872
ChEBI NameGGTI 298 trifluoroacetate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC27H33N3O3S.C2HF3O2
Net Charge0
Average Mass593.668
Monoisotopic Mass593.21713
SMILESO=C(O)C(F)(F)F.[H][C@](N)(CS)CNc1ccc(/C(O)=N/[C@@]([H])(CC(C)C)C(=O)OC)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C27H33N3O3S.C2HF3O2/c1-17(2)13-25(27(32)33-3)30-26(31)23-12-11-20(29-15-19(28)16-34)14-24(23)22-10-6-8-18-7-4-5-9-21(18)22;3-2(4,5)1(6)7/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31);(H,6,7)/t19-,25+;/m1./s1
InChIKeyWALKWJPZELDSKT-UFABNHQSSA-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 298 trifluoroacetate (CHEBI:232872) has role EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor (CHEBI:67267)
GGTI 298 trifluoroacetate (CHEBI:232872) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid
Registry NumbersSources
CAS:180977-44-0SUBMITTER
Citations