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ONTOLOGY REPORT - ANNOTATIONS


Term:GI254023X
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Accession:CHEBI:143102 term browser browse the term
Definition:A L-valine derivative that is 3-methyl-L-valine in which carboxy OH group is replaced by a methylnitrilo group and the one of the amino hydrogens is replaced by a (2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl group. It is a potent MMP9 and ADAM10 metalloprotease inhibitor with IC50 of 2.5 and 5.3 nM, respectively.
Synonyms:exact_synonym: N(2)-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide
 related_synonym: (2R)-N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]-propyl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide;   (2R,3S)-3-(formyl-hydroxyamino)-2-(3-phenyl-1-propyl)butanoic acid [(1S)-2,2-dimethyl-1-methylcarbamoyl-1-propyl]amide;   Formula=C21H33N3O4;   GI-254023X;   GI-4023;   GI4023;   InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1;   InChIKey=GHVMTHKJUAOZJP-CGTJXYLNSA-N;   SMILES=[C@H](C(NC)=O)(NC([C@H](CCCC=1C=CC=CC1)[C@@H](N(O)C=O)C)=O)C(C)(C)C
 xref: CAS:260264-93-5 "ChEBI";   PMID:12714508 "Europe PMC";   PMID:20197648 "Europe PMC";   PMID:24518602 "Europe PMC";   PMID:26314424 "Europe PMC";   PMID:26708884 "Europe PMC";   PMID:27043625 "Europe PMC";   PMID:27549131 "Europe PMC";   PMID:28801670 "Europe PMC"


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  CHEBI ontology 19669
    role 19613
      biological role 19611
        biochemical role 19138
          apoptosis inducer 10783
            GI254023X 0
Path 2
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        amino acid 12315
                                          alpha-amino acid 7422
                                            L-alpha-amino acid 7079
                                              pyruvate family amino acid 226
                                                L-valine 108
                                                  L-valine derivative 108
                                                    GI254023X 0
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