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Target
L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase
Ligand
BDBM50269998
Substrate
n/a
Meas. Tech.
ChEMBL_740790 (CHEMBL1763891)
IC50
2500000±n/a nM
Citation
 Gutierrez-Lugo, MT; Bewley, CA Susceptibility and mode of binding of the Mycobacterium tuberculosis cysteinyl transferase mycothiol ligase to tRNA synthetase inhibitors. Bioorg Med Chem Lett 21:2480-3 (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:
BDBM50269998
Synonyms:
(S)-2-((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxamido)-3-phenylpropanoate
Type:
Small organic molecule
Emp. Form.:
C20H17ClNO6
Mol. Mass.:
402.806
SMILES:
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@@H](Cc3ccccc3)C([O-])=O)c(O)c2C(=O)O1 |r|
Structure:
Search PDB for entries with ligand similarity: