| Reaction Details |
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 | Report a problem with these data |
| Target | L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase |
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| Ligand | BDBM50269998 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_740790 (CHEMBL1763891) |
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| IC50 | 2500000±n/a nM |
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| Citation |  Gutierrez-Lugo, MT; Bewley, CA Susceptibility and mode of binding of the Mycobacterium tuberculosis cysteinyl transferase mycothiol ligase to tRNA synthetase inhibitors. Bioorg Med Chem Lett21:2480-3 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase |
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| Name: | L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase |
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| Synonyms: | L-Cys:GlcN-Ins ligase | MSH ligase | MSHC_MYCTU | Mycothiol ligase | cysS2 | mshC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 45583.42 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_754210 |
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| Residue: | 414 |
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| Sequence: | MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYV
TFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRV
LPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDR
DTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSR
IGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLV
LVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDV
VARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL
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| BDBM50269998 |
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| n/a |
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| Name | BDBM50269998 |
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| Synonyms: | (S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoate |
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| Type | Small organic molecule |
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| Emp. Form. | C20H17ClNO6 |
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| Mol. Mass. | 402.806 |
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| SMILES | C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 |r| |
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| Structure | 
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