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TargetL-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase
LigandBDBM50347272
Substrate/Competitorn/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 Chem19:3956-64 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase
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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  Blast E-value cutoff:
BDBM50347272
n/a
NameBDBM50347272
Synonyms:CHEMBL1329194
TypeSmall organic molecule
Emp. Form.C25H33N3O3S
Mol. Mass.455.613
SMILESCCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2=O
Structure
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