Reaction Details |
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Target | 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase |
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Ligand | BDBM50315607 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_627600 (CHEMBL1113606) |
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Ki | 16800±n/a nM |
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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 Chem18:2501-14 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase |
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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
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BDBM50315607 |
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n/a |
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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 |
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