Target
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase
Ligand
BDBM50227092
Substrate
n/a
Meas. Tech.
ChEMBL_452329 (CHEMBL902566)
IC50
7000±n/a nM
Citation
 Metaferia, BBFetterolf, BJShazad-Ul-Hussan, SMoravec, MSmith, JARay, SGutierrez-Lugo, MTBewley, CA Synthesis of natural product-inspired inhibitors of Mycobacterium tuberculosis mycothiol-associated enzymes: the first inhibitors of GlcNAc-Ins deacetylase. J Med Chem 50:6326-36 (2007) [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:
BDBM50227092
Synonyms:
5-(4-chlorophenyl)-N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-3-yl)furan-2-carboxamide | CHEMBL238766
Type:
Small organic molecule
Emp. Form.:
C23H28ClNO6S
Mol. Mass.:
481.99
SMILES:
OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)[C@H](O)[C@H]1O
Structure:
Search PDB for entries with ligand similarity: