Ki Summary

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Target

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase

Ligand

BDBM50227093

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_452329 (CHEMBL902566)

IC50

101000±n/a nM

Citation

Metaferia, BB; Fetterolf, BJ; Shazad-Ul-Hussan, S; Moravec, M; Smith, JA; Ray, S; Gutierrez-Lugo, MT; Bewley, CA Synthesis of natural product-inspired inhibitors of Mycobacterium tuberculosis mycothiol-associated enzymes: the first inhibitors of GlcNAc-Ins deacetylase. J Med Chem50:6326-36 (2007) [PubMed] Article

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Get all data from this article, Assay Method

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase

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:

MSETPRLLFVHAHPDDESLSNGATIAHYTSRGAQVHVVTCTLGEEGEVIGDRWAQLTADH
ADQLGGYRIGELTAALRALGVSAPIYLGGAGRWRDSGMAGTDQRSQRRFVDADPRQTVGA
LVAIIRELRPHVVVTYDPNGGYGHPDHVHTHTVTTAAVAAAGVGSGTADHPGDPWTVPKF
YWTVLGLSALISGARALVPDDLRPEWVLPRADEIAFGYSDDGIDAVVEADEQARAAKVAA
LAAHATQVVVGPTGRAAALSNNLALPILADEHYVLAGGSAGARDERGWETDLLAGLGFTA
SGT

BDBM50227093

n/a

Name

BDBM50227093

Synonyms:

CHEMBL238782 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)-4-phenylbutane-1-sulfonamide

Type

Small organic molecule

Emp. Form.

C22H35NO6S2

Mol. Mass.

473.646

SMILES

OC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NS(=O)(=O)CCCCc2ccccc2)[C@H](O)[C@H]1O

Structure