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 | BDBM50347277 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_754210 (CHEMBL1798854) |
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IC50 | 710000±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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BDBM50347277 |
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n/a |
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Name | BDBM50347277 |
Synonyms: | CHEMBL1300146 |
Type | Small organic molecule |
Emp. Form. | C30H32FN3O3S |
Mol. Mass. | 533.657 |
SMILES | CC1CCCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3=O)C1 |
Structure |
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