Reaction Details |
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Target | L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase |
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Ligand | BDBM50347261 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_754210 (CHEMBL1798854) |
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IC50 | 130000±n/a nM |
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Citation | Newton, GL; Buchmeier, N; La Clair, JJ; Fahey, RC Evaluation of NTF1836 as an inhibitor of the mycothiol biosynthetic enzyme MshC in growing and non-replicating Mycobacterium tuberculosis. Bioorg Med Chem19:3956-64 (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 |
Synonyms: | L-Cys:GlcN-Ins ligase | MSH ligase | MSHC_MYCTU | Mycothiol ligase | cysS2 | mshC |
Type: | PROTEIN |
Mol. Mass.: | 45583.42 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_754210 |
Residue: | 414 |
Sequence: | MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYV
TFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRV
LPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDR
DTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSR
IGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLV
LVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDV
VARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL
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BDBM50347261 |
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n/a |
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Name | BDBM50347261 |
Synonyms: | CHEMBL1796111 |
Type | Small organic molecule |
Emp. Form. | C28H28ClN3O2S |
Mol. Mass. | 506.059 |
SMILES | Clc1cccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCCC2)c1 |
Structure |
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