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TargetMycothiol S-conjugate amidase
LigandBDBM50227094
Substrate/Competitorn/a
Meas. Tech.ChEMBL_452330
IC50>200000±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
More Info.:Get all data from this article,  Assay Method
 
Mycothiol S-conjugate amidase
Name:Mycothiol S-conjugate amidase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:32719.79
Organism:Mycobacterium tuberculosis
Description:ChEMBL_626858
Residue:288
Sequence:
MSELRLMAVHAHPDDESSKGAATLARYADEGHRVLVVTLTGGERGEILNPAMDLPDVHGR
IAEIRRDEMTKAAEILGVEHTWLGFVDSGLPKGDLPPPLPDDCFARVPLEVSTEALVRVV
REFRPHVMTTYDENGGYPHPDHIRCHQVSVAAYEAAGDFCRFPDAGEPWTVSKLYYVHGF
LRERMQMLQDEFARHGQRGPFEQWLAYWDPDHDFLTSRVTTRVECSKYFSQRDDALRAHA
TQIDPNAEFFAAPLAWQERLWPTEEFELARSRIPARPPETELFAGIEP
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  Blast E-value cutoff:
BDBM50227094
n/a
NameBDBM50227094
Synonyms:CHEMBL391010 | N-((2R,3R,4R,5S,6R)-2-(cyclohexylthio)-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxamide
TypeSmall organic molecule
Emp. Form.C22H29FN2O6S
Mol. Mass.468.539
SMILESOC[C@@H]1O[C@@H](SC2CCCCC2)[C@@H](NC(=O)C2COC(=N2)c2cccc(F)c2)[C@H](O)[C@H]1O |w:16.16,c:20|
Structure
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