Reaction Details Report a problem with these data
Target
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase
Ligand
BDBM50315607
Substrate
n/a
Meas. Tech.
ChEMBL_627600 (CHEMBL1113606)
Ki
16800±n/a nM
Citation
 Gammon, DW; Steenkamp, DJ; Mavumengwana, V; Marakalala, MJ; Mudzunga, TT; Hunter, R; Munyololo, M Conjugates of plumbagin and phenyl-2-amino-1-thioglucoside inhibit MshB, a deacetylase involved in the biosynthesis of mycothiol. Bioorg Med Chem 18:2501-14 (2010) [PubMed]  Article 
Target
Name:
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase
Synonyms:
LmbE-related protein | MSHB_MYCTU | mshB
Type:
PROTEIN
Mol. Mass.:
31733.34
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_627600
Residue:
303
Sequence:
MSETPRLLFVHAHPDDESLSNGATIAHYTSRGAQVHVVTCTLGEEGEVIGDRWAQLTADHADQLGGYRIGELTAALRALGVSAPIYLGGAGRWRDSGMAGTDQRSQRRFVDADPRQTVGALVAIIRELRPHVVVTYDPNGGYGHPDHVHTHTVTTAAVAAAGVGSGTADHPGDPWTVPKFYWTVLGLSALISGARALVPDDLRPEWVLPRADEIAFGYSDDGIDAVVEADEQARAAKVAALAAHATQVVVGPTGRAAALSNNLALPILADEHYVLAGGSAGARDERGWETDLLAGLGFTASGT
  
Inhibitor
Name:
BDBM50315607
Synonyms:
CHEMBL1093143 | Phenyl-2-deoxy-2-[3'-(8''-hydroxy-3''-methyl-1'',4''-dioxo-1'',4''-dihydronaphthalen-2''-yl)hexanamido]-1-thio-alpha-Dglucopyranoside
Type:
Small organic molecule
Emp. Form.:
C29H33NO8S
Mol. Mass.:
555.639
SMILES:
Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1Sc1ccccc1 |r,w:15.17|
Structure:
Search PDB for entries with ligand similarity: