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Target
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase
Ligand
BDBM50347253
Substrate
n/a
Meas. Tech.
ChEMBL_754210 (CHEMBL1798854)
IC50
500000±n/a nM
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 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:
BDBM50347253
Synonyms:
CHEMBL1796107
Type:
Small organic molecule
Emp. Form.:
C31H34ClN3O3S
Mol. Mass.:
564.138
SMILES:
CC1CC(C)CN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3=O)C1
Structure:
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