Target
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase
Ligand
BDBM50347273
Substrate
n/a
Meas. Tech.
ChEMBL_754210 (CHEMBL1798854)
IC50
>3000000±n/a nM
Citation
 Newton, GLBuchmeier, NLa Clair, JJFahey, RC Evaluation of NTF1836 as an inhibitor of the mycothiol biosynthetic enzyme MshC in growing and non-replicating Mycobacterium tuberculosis. Bioorg Med Chem 19:3956-64 (2011) [PubMed]  Article 
Target
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:
MQSWYCPPVPVLPGRGPQLRLYDSADRQVRPVAPGSKATMYVCGITPYDATHLGHAATYVTFDLIHRLWLDLGHELHYVQNITDIDDPLFERADRDGVDWRDLAQAEVALFCEDMAALRVLPPQDYVGATEAIAEMVELIEKMLACGAAYVIDREMGEYQDIYFRADATLQFGYESGYDRDTMLRLCEERGGDPRRPGKSDELDALLWRAARPGEPSWPSPFGPGRPGWHVECAAIALSRIGSGLDIQGGGSDLIFPHHEFTAAHAECVSGERRFARHYVHAGMIGWDGHKMSKSRGNLVLVSALRAQDVEPSAVRLGLLAGHYRADRFWSQQVLDEATARLHRWRTATALPAGPAAVDVVARVRRYLADDLDTPKAIAALDGWVTDAVEYGGHDAGAPKLVATAIDALLGVDL
  
Inhibitor
Name:
BDBM50347273
Synonyms:
CHEMBL1796123
Type:
Small organic molecule
Emp. Form.:
C23H27N3O4S
Mol. Mass.:
441.543
SMILES:
CCN1c2cc(ccc2S(=O)c2ccccc2C1=O)C(=O)NCCCN1CCOCC1
Structure:
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